Author: Jessica.F

《A combination of FTIR and DFT to study the microscopic structure and hydrogen-bonding interaction properties of the [BMIM][BF4] and water》 was published in Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy in 2020. These research results belong to Zheng, Yan-Zhen; Zhou, Yu; Deng, Geng; Guo, Rui; Chen, Da-Fu. Quality Control of 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate The article mentions the following:

The structure and hydrogen-bond interaction property of water and a model ionic liquid (IL): 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIM][BF4]) were studied using the combination of Fourier transform IR spectroscopy and d. functional theory calculations The O-D stretching vibration region of the deuterated water was an area of special focus. Excess IR spectroscopy with enhanced resolution was applied to analyze the original IR spectra of v(O-D). It is found that: (1) [BMIM][BF4] forms stable hydrogen-bonds with water in the mixture (2) The hydrogen-bonds are weak strength, closed shell and electrostatic dominant interactions. The preferred interaction site of [BMIM]+ cation is the hydrogen atom at the C2. (3) Cage hexamer water, cyclic tetramer water, cyclic trimer water, ion cluster-water complex, ion pair-water, and anion-water complexes are identified in the mixture When the mole fraction of D2O (x(D2O)) is larger than 0.9, ion cluster and ion pair were broken apart into individual cations and anions. The cage hexamer water, cyclic tetramer water, and cyclic trimer water disappear at x(D2O) < 0.8, 0.5, and 0.3, resp. HDO formed by H/D isotope exchange was detected when x(D2O) is less than 0.3. In the part of experimental materials, we found many familiar compounds, such as 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate(cas: 174501-65-6Quality Control of 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate)

3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate(cas: 174501-65-6) is a member of lonic liquids. A multidisciplinary study on lonic liquids is emerging, including chemistry, materials science, chemical engineering, and environmental science. More specifically, some important fundamental viewpoints are now different from the original concepts, as insights into the nature of lonic liquids become deeper. For example, the physicochemical properties of lonic liquids are now recognized as ranging broadly from the oft quoted “nonvolatile, non-flammable, and air and water stable” to those that are distinctly volatile, flammable, and unstable. Quality Control of 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Rakhmonova, Dilnoza; Kadirova, Zukhra; Torambetov, Batirbay; Kadirova, Shakhnoza; Ashurov, Jamshid; Shishkina, Svitlana published an article in Acta Crystallographica, Section E: Crystallographic Communications. The title of the article was 《The molecular and crystal structures of 2-(3-hydroxypropyl)benzimidazole and its nitrate salt》.Reference of 3-(1H-Benzo[d]imidazol-2-yl)propan-1-ol The author mentioned the following in the article:

2-(3-Hydroxypropyl)-1H-benzimidazole, C10H12N2O, which has potential biol. activity, can be used as a ligand for complexation with metals. This compound is an electron donor, due to the lone pair of the nitrogen atom in the imidazole ring. This nitrogen atom also acts as a proton acceptor. In the crystalline phase, the nitrate salt, namely, 2-(3-hydroxypropyl)-1H-benzimidazol-3-ium nitrate, C10H13N2O+·NO3-, has been studied. The protonation of the 2-(3-hydroxypropyl)benzimidazole unit results in significant delocalization of the electron d. within the imidazole ring. The salt formation leads to variations in the intermol. interactions, which were studied by anal. of the Hirshfeld surfaces and two-dimensional fingerprint plots.3-(1H-Benzo[d]imidazol-2-yl)propan-1-ol(cas: 2403-66-9Reference of 3-(1H-Benzo[d]imidazol-2-yl)propan-1-ol) was used in this study.

3-(1H-Benzo[d]imidazol-2-yl)propan-1-ol(cas: 2403-66-9) belongs to imidazoles.Imidazole rings are part of unnatural cyclic peptides and are used as ester isosteres in peptidomimetic studies.
However, the application of imidazoles is not limited to the field of peptides and peptidomimetics. Reference of 3-(1H-Benzo[d]imidazol-2-yl)propan-1-ol

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

The author of 《Dioxothietanylation of heterocycles 2*. Imidazoles and benzimidazoles》 were Makarova, Nadezhda N.; Klen, Elena E.; Khaliullin, Ferkat A.. And the article was published in Chemistry of Heterocyclic Compounds (New York, NY, United States) in 2019. Synthetic Route of C7H5ClN2 The author mentioned the following in the article:

The 1-(1,1-dioxidothietan-3-yl)-1H-benzimidazoles I (R = H, Cl, CH3, C6H5CH2, CH3S, CH3CH2S) and 1-(1,1-dioxidothietan-3-yl)-1H-imidazoles II (R1 = H, CH3; R2 = H, NO2) were synthesized in the reaction of 3,5-dibromo-1-(1,1-dioxidothietan-3-yl)-1H-1,2,4-triazole with the sodium salts of benzimidazoles III and imidazoles IV. The reaction involves addition of azoles to thiete 1,1-dioxide formed in situ, which acts as a Michael acceptor. The effect of pKa values of benzimidazoles III and imidazoles IV on their reactivity is shown. The results came from multiple reactions, including the reaction of 2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1Synthetic Route of C7H5ClN2)

2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1) is an analog of benzimidazole that has been synthesized by Langmuir adsorption isotherm. It is a white crystalline solid that can be dissolved in water and hydrochloric acid. 2-Chloro-1H-benzo[d]imidazole inhibits the growth of herpes simplex virus by acting as a competitive inhibitor for the viral enzyme thymidine kinase, which catalyzes the conversion of thymine to thymidine.Synthetic Route of C7H5ClN2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《Molecular-level electrochemical doping for fine discrimination of volatile organic compounds in organic chemiresistors》 was written by Kwon, Sooncheol; Pak, Yusin; Kim, Bongseong; Park, Byoungwook; Kim, Jehan; Kim, Geunjin; Jo, Yong-Ryun; Limbu, Saurav; Stewart, Katherine; Kim, Hyeonghun; Kim, Bong-Joong; Jang, Soo-Young; Kang, Hongkyu; Min, Jung-Wook; Kim, Ji-Seon; Jung, Gun Young; Lee, Kwanghee. Electric Literature of C4H6N2 And the article was included in Journal of Materials Chemistry A: Materials for Energy and Sustainability in 2020. The article conveys some information:

Printable organic sensors fabricated from solution-processed π-conjugated polymers (π-CPs) are promising candidates to detect volatile organic compounds (VOCs) due to the intriguing phys., chem. and electronic properties of π-CPs. These devices, often termed organic chemiresistors, require good sensing capabilities to transduce stimuli from specific VOCs at low concentrations into anal. elec. signals. However, discriminating such VOCs using organic chemiresistors proved very challenging. Herein, the authors report that the mol.-level electrochem. doping of π-CPs with solid-state ionic liquids (SILs) significantly improves their elec. conductivity (~10-1 S cm-1) and selective VOC interactions, which can be manipulated through different π-CPs:SIL blend ratios. These characteristics enable the fine discrimination of VOCs at concentrations in the parts-per-billion (ppb) range under low power consumption (<0.1 μW) and room temperature conditions. The authors′ result provides a new opportunity for developing highly sensitive and selective VOC monitoring platform technologies that are printable on large-area, wearable, flexible and transparent substrates. The experimental process involved the reaction of 1-Methyl-1H-imidazole(cas: 616-47-7Electric Literature of C4H6N2)

1-Methyl-1H-imidazole(cas: 616-47-7) is actively involved in removing acid during the production of diethoxyphenylphosphine. It is used as an intermediate in organic synthesis.Electric Literature of C4H6N2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Srivastava, Shivansh; Mahor, Alok; Singh, Gyanendra; Bansal, Kuldeep; Singh, Prem Prakash; Gupta, Rishikesh; Dutt, Rohit; Alanazi, Amer M.; Khan, Azmat Ali; Kesharwani, Prashant published their research in Journal of Pharmaceutical Sciences (Philadelphia, PA, United States) in 2021. The article was titled 《Formulation Development, In Vitro and In Vivo Evaluation of Topical Hydrogel Formulation of Econazole Nitrate-Loaded β-Cyclodextrin Nanosponges》.Recommanded Product: Di(1H-imidazol-1-yl)methanone The article contains the following contents:

Econazole nitrate, an antifungal drug used in the handling of skin ailments, is com. not efficient as these ailments typically require a more elevated concentration of the drug to offer an effective pharmacol. retort. Like so, it is proposed to assess the effectiveness of the topical hydrogel of econazole-loaded nanosponge in the management of skin ailment(s). Econazole nitrate-laden β-cyclodextrin nanosponges were developed by employing the melt method using β-cyclodextrin as the organic polymer and N,N-carbonyldiimidazole as the crosslinker. The critical factors disturbing the quality of the formulation were uniquely identified by the Ishikawa diagram, and they were optimized by the statistical experiment design concept. β-cyclodextrin loaded nanosponges were uniquely designed using the Placket-Burman approach and optimized utilizing the Box-Behnken method. The optimized nanosponges (EN-CDN) were 421.37 ± 6.19 nm in size with an entrapment efficiency of 70.13% ± 5.73%. The topical hydrogel of nanosponges (EN-TG) was prepared using carbopol 934 and pyrrolidone as permeation enhancers. In vitro skin permeation studies affirmed the improved transport crosswise the goatskin for topical hydrogel in comparison to the marketed product. EN-TG was able to control the fungal infection in the selected animal model in comparison to the marketed preparation Stability studies reported favorably that nanogel remained stable under normal and accelerated settings. In the experimental materials used by the author, we found Di(1H-imidazol-1-yl)methanone(cas: 530-62-1Recommanded Product: Di(1H-imidazol-1-yl)methanone)

Di(1H-imidazol-1-yl)methanone(cas: 530-62-1) is a peptide coupling reagent,it is used in the synthesis of peptides. Reacts readily with carboxylic acids to form acyl imidazoles; subsequent reaction with amines to form amides goes smoothly.Recommanded Product: Di(1H-imidazol-1-yl)methanone

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2018,Ghanbarimasir, Zahra; Bekhradnia, Ahmadreza; Morteza-Semnani, Katayoun; Rafiei, Alireza; Razzaghi-Asl, Nima; Kardan, Mostafa published 《Design, synthesis, biological assessment and molecular docking studies of new 2-aminoimidazole-quinoxaline hybrids as potential anticancer agents》.Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy published the findings.HPLC of Formula: 7720-39-0 The information in the text is summarized as follows:

In a search for novel antiproliferative agents, a series of quinoxaline derivatives containing 2-aminoimidazole (8a-8x) were designed and synthesized. The structures of synthesized compounds were confirmed by IR, 1H NMR, 13C NMR, Mass Spectroscopy and analyzed using HSQC, COSY, ROESY, HMBC techniques. The anticancer activity of all derivatives were evaluated for colon cancer and breast cancer cell lines by the MTT assay and acridine orange/ethidium bromide double staining method. The anti-cancer effect in human colon cancer (HCT-116) and breast cancer (MCF-7) cell lines exhibited that compounds 8a, 8s, 8t, 8w, 8x appeared as potent antiproliferative agents and especially inhibited the human colon cancer cell proliferation with percentage of inhibition by over 50%. The most active compound was (E)-4-phenyl-1-((quinoxalin-2-ylmethylene)amino)-1H-imidazol-2-amine (8a) with the highest inhibition for MCF-7 (83.3%) and HCT-116 (70%) cell lines after 48 and 24 h, resp. Mol. docking studies of these derivatives within c-kit active site as a validated target might be suggested them as appropriate candidates for further efforts toward more potent anticancer compounds After reading the article, we found that the author used 1H-Imidazol-2-amine(cas: 7720-39-0HPLC of Formula: 7720-39-0)

1H-Imidazol-2-amine(cas: 7720-39-0) belongs to anime. Examples of direct uses of amines and their salts are as corrosion inhibitors in boilers and in lubricating oils (morpholine), as antioxidants for rubber and roofing asphalt (diarylamines), as stabilizers for cellulose nitrate explosives (diphenylamine), as protectants against damage from gamma radiation (diarylamines), as developers in photography (aromatic diamines), as flotation agents in mining, as anticling and waterproofing agents for textiles, as fabric softeners, in paper coating, and for solubilizing herbicides.HPLC of Formula: 7720-39-0

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Electric Literature of C10H16N2O3SIn 2019 ,《Heterogeneous and rate-dependent streptavidin-biotin unbinding revealed by high-speed force spectroscopy and atomistic simulations》 was published in Proceedings of the National Academy of Sciences of the United States of America. The article was written by Rico, Felix; Russek, Andreas; Gonzalez, Laura; Grubmuller, Helmut; Scheuring, Simon. The article contains the following contents:

Receptor-ligand interactions are essential for biol. function and their binding strength is commonly explained in terms of static lock-and-key models based on mol. complementarity. However, detailed information on the full unbinding pathway is often lacking due, in part, to the static nature of at. structures and ensemble averaging inherent to bulk biophysics approaches. Here we combine mol. dynamics and high-speed force spectroscopy on the streptavidin-biotin complex to determine the binding strength and unbinding pathways over the widest dynamic range. Experiment and simulation show excellent agreement at overlapping velocities and provided evidence of the unbinding mechanisms. During unbinding, biotin crosses multiple energy barriers and visits various intermediate states far from the binding pocket, while streptavidin undergoes transient induced fits, all varying with loading rate. This multistate process slows down the transition to the unbound state and favors rebinding, thus explaining the long lifetime of the complex. We provide an atomistic, dynamic picture of the unbinding process, replacing a simple two-state picture with one that involves many routes to the lock and rate-dependent induced-fit motions for intermediates, which might be relevant for other receptor-ligand bonds. The experimental part of the paper was very detailed, including the reaction process of 5-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid(cas: 58-85-5Electric Literature of C10H16N2O3S)

5-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid(cas: 58-85-5) may be used to elute proteins from avidin/streptavidin resins. It has been used for culturing of oligodendrocytes.Electric Literature of C10H16N2O3S And it has been used as a vitamin supplement for the growth of Bacillus species.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《N-Propargylation and Copper(I)-Catalyzed Azide-Alkyne Cycloaddition as a Convenient Strategy for Directed Post-Synthetic Modification of 4-Oxo-1,4-Dihydrocinnoline Derivatives》 was written by Mikhaylov, Vladimir N.; Pavlov, Artem O.; Ogorodnov, Yaroslav V.; Spiridonova, Dar’ya V.; Sorokoumov, Viktor N.; Balova, Irina A.. Quality Control of 1,3-Dimesityl-1H-imidazol-3-ium chloride And the article was included in Chemistry of Heterocyclic Compounds (New York, NY, United States) in 2020. The article conveys some information:

4-Oxo-1,4-dihydrocinnoline derivatives as promising inhibitors of protein tyrosine phosphatase 1B were subjected to post-synthetic modification via a sequence of propargylation and copper(I)-catalyzed azide-alkyne cycloaddition reactions. The propargylation of 4-oxo- 1,4-dihydrocinnolines with propargyl bromide in the presence of various bases proceeded regioselectively at the cinnolinone N-1 atom. In the cycloaddition reaction of N-propargylcinnolinones and benzyl azide, the highest catalytic activity of copper(I) N-heterocyclic carbene complex [(IMes)Cu(Br,I)] (IMes = 1,3-bis-(2,4,6-trimethylphenyl)imidazol-2-ylidene) was observed, compared to [(IMes)CuCl], [(IPr)Cu(Cl,Br,I)] (IPr = 1,3-bis(2,6-diisopropylphenyl)-imidazol-2-ylidene), and CuI. In addition to this study using 1,3-Dimesityl-1H-imidazol-3-ium chloride, there are many other studies that have used 1,3-Dimesityl-1H-imidazol-3-ium chloride(cas: 141556-45-8Quality Control of 1,3-Dimesityl-1H-imidazol-3-ium chloride) was used in this study.

1,3-Dimesityl-1H-imidazol-3-ium chloride(cas: 141556-45-8) is a ligand for arylation of aldehydes and for carbene catalyzed intermolecular arylation of C-H bonds. It is used as a phosphine-free ligand in various metal-catalyzed coupling reactions, often with advantageous results in difficult cases.Quality Control of 1,3-Dimesityl-1H-imidazol-3-ium chloride

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Application of 7720-39-0In 2017 ,《insight into the mechanism of nonenzymatic RNA primer extension from the structure of an RNA-GpppG complex》 was published in Proceedings of the National Academy of Sciences of the United States of America. The article was written by Zhang, Wen; Tam, Chun Pong; Walton, Travis; Fahrenbach, Albert C.; Birrane, Gabriel; Szostak, Jack W.. The article contains the following contents:

The nonenzymic copying of RNA templates with imidazole-activated nucleotides is a well-studied model for the emergence of RNA self-replication during the origin of life. We have recently discovered that this reaction can proceed through the formation of an imidazolium-bridged dinucleotide intermediate that reacts rapidly with the primer. To gain insight into the relationship between the structure of this intermediate and its reactivity, we cocrystd. an RNA primer-template complex with a close analog of the intermediate, the triphosphate-bridged guanosine dinucleotide GpppG, and solved a high-resolution X-ray structure of the complex. The structure shows that GpppG binds the RNA template through two Watson-Crick base pairs, with the primer 3′-hydroxyl oriented to attack the 5′-phosphate of the adjacent G residue. Thus, the GpppG structure suggests that the bound imidazolium-bridged dinucleotide intermediate would be preorganized to react with the primer by in-line SN2 substitution. The structures of bound GppG and GppppG suggest that the length and flexibility of the 5′-5′ linkage are important for optimal preorganization of the complex, whereas the position of the 5′-phosphate of bound pGpG explains the slow rate of oligonucleotide ligation reactions. Our studies provide a structural interpretation for the observed reactivity of the imidazolium-bridged dinucleotide intermediate in nonenzymic RNA primer extension. In the part of experimental materials, we found many familiar compounds, such as 1H-Imidazol-2-amine(cas: 7720-39-0Application of 7720-39-0)

1H-Imidazol-2-amine(cas: 7720-39-0) belongs to anime. To avoid the problem of multiple alkylation, methods have been devised for “blocking” substitution so that only one alkyl group is introduced. The Gabriel synthesis is one such method; it utilizes phthalimide, C6H4(CO)2NH, whose one acidic hydrogen atom has been removed upon the addition of a base such as KOH to form a salt.Application of 7720-39-0

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Application of 7720-39-0In 2020 ,《A continuous reaction network that produces RNA precursors》 was published in Proceedings of the National Academy of Sciences of the United States of America. The article was written by Yi, Ruiqin; Tran, Quoc Phuong; Ali, Sarfaraz; Yoda, Isao; Adam, Zachary R.; James Cleaves, H.; Fahrenbach, Albert C.. The article contains the following contents:

Continuous reaction networks, which do not rely on purification or timely additions of reagents, serve as models for chem. evolution and have been demonstrated for compounds thought to have played important roles for the origins of life such as amino acids, hydroxy acids, and sugars. Step-by-step chem. protocols for ribonucleotide synthesis are known, but demonstrating their synthesis in the context of continuous reaction networks remains a major challenge. Herein, compounds proposed to be important for prebiotic RNA synthesis, including glycolaldehyde, cyanamide, 2-aminooxazole, and 2-aminoimidazole, are generated from a continuous reaction network, starting from an aqueous mixture of NaCl, NH4Cl, phosphate, and HCN as the only carbon source. No well-timed addition of any other reagents is required. The reaction network is driven by a combination of γ radiolysis and dry-down. γ Radiolysis results in a complex mixture of organics, including the glycolaldehyde-derived glyceronitrile and cyanamide. This mixture is then dried down, generating free glycolaldehyde that then reacts with cyanamide/NH3 to furnish a combination of 2-aminooxazole and 2-aminoimidazole. This continuous reaction network models how precursors for generating RNA and other classes of compounds may arise spontaneously from a complex mixture that originates from simple reagents. In the part of experimental materials, we found many familiar compounds, such as 1H-Imidazol-2-amine(cas: 7720-39-0Application of 7720-39-0)

1H-Imidazol-2-amine(cas: 7720-39-0) belongs to anime. Amines can be classified according to the nature and number of substituents on nitrogen. Aliphatic amines contain only H and alkyl substituents. Aromatic amines have the nitrogen atom connected to an aromatic ring.Important amines include amino acids, biogenic amines, trimethylamine, and aniline. Inorganic derivatives of ammonia are also called amines, such as monochloramine (NClH2).Application of 7720-39-0

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem