Tag: 100-200

The author of 《Synthesis of a phosphaphenanthrene/benzimidazole-based curing agent and its application in flame-retardant epoxy resin》 were Huo, Siqi; Liu, Zhitian; Li, Chuan; Wang, Xiaolei; Cai, Haopeng; Wang, Jun. And the article was published in Polymer Degradation and Stability in 2019. Computed Properties of C7H7N3 The author mentioned the following in the article:

A flame-retardant curing agent (DTA) for epoxy resin (EP), which was constructed by phosphaphenanthrene and benzimidazole groups, was successfully synthesized via one-pot reaction between 2-aminobenzimidazole, terephthalaldehyde, and 9,10-dihydro-9-oxa-10-phosphaphenanthrene-10-oxide (DOPO). DTA induced the decomposition of EP matrix and promoted the carbonization at high temperature As expected, DTA endowed EP thermoset with excellent flame retardancy and smoke suppression. For instance, EP/DDS/DTA-0.5 sample containing only 0.5 wt% phosphorus passed UL94 V-1 rating and its LOI value increased to 34.2%. In addition, the pk-HRR, av-HRR, THR, TSR, and TSP of EP/DDS/DTA-1.0 sample were decreased by 56.6%, 31.6%, 34.4%, 24.6% and 24.6% in comparison to those of EP/DDS sample. The flame retardant mechanism showed that the decomposition products of DTA played an important role in the formation of a compact and intumescent char layer in condensed phase. Meanwhile, the phosphorus-containing and nitrogen-containing fragments, which was generated by the pyrolysis of DTA, quenched the active free radicals and diluted the fuels in gaseous phase. Therefore, DTA exerted flame retardant effect in condensed and gaseous phases during combustion. In the experiment, the researchers used many compounds, for example, 1H-Benzo[d]imidazol-2-amine(cas: 934-32-7Computed Properties of C7H7N3)

1H-Benzo[d]imidazol-2-amine(cas: 934-32-7) can be used in the hydrolysis of a choline carbonate. It was also used in the synthesis of imidazo[1,2-a]benzimidazoles.Computed Properties of C7H7N3

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2019,Organic & Biomolecular Chemistry included an article by Wang, Xin; Li, Changhao; Zhang, Yixiao; Zhang, Bing; Sun, Kai. Electric Literature of C7H5ClN2. The article was titled 《Direct methyl C(sp3)-H azolation of thioanisoles via oxidative radical coupling》. The information in the text is summarized as follows:

A method for metal-free, 1,3-dibromo-5,5-dimethylhydantoin mediated Me C(sp3)-H bond azolation of thioanisoles RC6H4SCH3 (R = H, 2-H3CO, 3-Cl, 4-F, etc.) has been developed, affording a facile route for the construction of nitrogen-functionalized thioanisoles RC6H4SCH2R1 (R1 = 2-chloro-1H-1,3-benzodiazol-1-yl, 1H-1,2,3-benzotriazol-1-yl, 5-phenyl-1H-1,2,3,4-tetrazol-1-yl, etc.), possibly via a nitrogen-centered radical process. This reaction represents an important addition to the limited number of existing methods for the Me C(sp3)-H bond functionalization of thioanisoles, and may find practical application in the synthesis of nitrogen-alkylated azoles. After reading the article, we found that the author used 2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1Electric Literature of C7H5ClN2)

2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1) binds to monoclonal antibodies, inhibiting their binding to their corresponding antigens. This activity may be due to its ability to bind covalently with amino groups on proteins and other molecules.Electric Literature of C7H5ClN2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2019,Chemistry – A European Journal included an article by Werr, Marco; Kaifer, Elisabeth; Wadepohl, Hubert; Himmel, Hans-Joerg. Name: 2-Chloro-1H-benzo[d]imidazole. The article was titled 《Tuneable Redox Chemistry and Electrochromism of Persistent Symmetric and Asymmetric Azine Radical Cations》. The information in the text is summarized as follows:

Mol. organic radicals have been intensively studied in the last decades, due to their interesting optical, magnetic and redox properties. Here we report the synthesis and characterization of persistent organic radicals from one-electron oxidation of redox-active azines (RAAs), composed of two guanidinyl or related groups. By connecting two different groups together, asym. compounds result. In this way a series of compounds with varying redox potential is obtained that could be oxidized reversibly to the mono- and the dicationic charge states. The accessible redox states were fully determined by chem. redox reactions. The standard Gibbs free energy change for disproportionation of the radical monocation into the dication and the neutral mol. in solution, estimated from cyclovoltammetric measurements, varies between 43 and 71 kJ mol-1. While the neutral RAAs absorb predominately UV light, the radical monocations display strong absorptions covering almost the entire visible region and extending for some compounds into the NIR region. A detailed anal. of this highly reversible electrochromism is presented, and the fast switching characteristics are demonstrated in an electrochromic test device. In the experiment, the researchers used many compounds, for example, 2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1Name: 2-Chloro-1H-benzo[d]imidazole)

2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1) binds to monoclonal antibodies, inhibiting their binding to their corresponding antigens. This activity may be due to its ability to bind covalently with amino groups on proteins and other molecules.Name: 2-Chloro-1H-benzo[d]imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2018,Chemistry – A European Journal included an article by Wang, Haixia; Yu, Lulu; Xie, Mingsheng; Wu, Jiang; Qu, Guirong; Ding, Kuiling; Guo, Haiming. Name: 2-Chloro-1H-benzo[d]imidazole. The article was titled 《Regio- and Enantioselective Allylic Amination of Aliphatic MBH Adducts with N-Heteroaromatics》. The information in the text is summarized as follows:

Palladium-catalyzed regio- and enantioselective allylic amination of aliphatic Morita-Baylis-Hillman (MBH) adducts with N-heteroaromatic nucleophiles (e.g., benzimidazole, 4,5-diphenylimidazole, benzotriazole, and purines) was achieved by using a spiroketal-based diphosphine (SKP) ligand, and afforded a range of chiral, branched N-allyl products with high selectivity. In the part of experimental materials, we found many familiar compounds, such as 2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1Name: 2-Chloro-1H-benzo[d]imidazole)

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.Name: 2-Chloro-1H-benzo[d]imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2018,Himabindu, Vittam; Parvathaneni, Sai Prathima; Rao, Vaidya Jayathirtha published 《PhI(OAc)2/NaX-mediated halogenation providing access to valuable synthons 3-haloindole derivatives》.New Journal of Chemistry published the findings.Reference of 2-Bromo-1H-imidazole The information in the text is summarized as follows:

A mild phenyliodine diacetate mediated method for selective chlorination, bromination, and iodination of indole C-H bonds using sodium halides NaX (X = Cl, Br, I) as a source for analogus halogenations has been described. The combination of sodium halide and phenyliodine diacetate provides an invincible system for halogenation of indoles I (R = H, F, Cl, Br, I, NO2, CH3, OCH3; R1 = H, CH3, C6H5; R2 = H, CH3, C6H5, C6H5CH2; X = H). This protocol was compatible with a wide array of indole substrates and provides straight forward access to potential halogenated arenes I (X = Cl, Br, I). In the experiment, the researchers used many compounds, for example, 2-Bromo-1H-imidazole(cas: 16681-56-4Reference of 2-Bromo-1H-imidazole)

2-Bromo-1H-imidazole(cas: 16681-56-4) is a member of imidazole. Its exclusive structural characteristics with enviable electron-rich features are favorable for imidazole-based fused heterocycles to bind efficiently with an array of enzymes and receptors in biological systems through various weak interactions like hydrogen bonds, ion-dipole, cation-π, π-π stacking, coordination, Van der Waals forces, hydrophobic effects, etc., and therefore they demonstrate widespread bioactivities. Reference of 2-Bromo-1H-imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2017,Graml, Andreas; Ghosh, Indrajit; Koenig, Burkhard published 《Synthesis of Arylated Nucleobases by Visible Light Photoredox Catalysis》.Journal of Organic Chemistry published the findings.Safety of 2-Chloro-1H-benzo[d]imidazole The information in the text is summarized as follows:

Arylated nucleobases, e.g., I, were synthesized by visible light photocatalysis using rhodamine 6G as photoredox catalyst and N,N-diisopropylethylamine as sacrificial electron donor. The high redox potential of this catalyst system is achieved by a consecutive photoinduced electron transfer process (conPET) and allows the room temperature conversion of brominated and chlorinated nucleobases or nucleobase precursors as starting materials. In contrast to many transition-metal-based syntheses, a direct C-H arylation of nitrogen-containing halogenated heterocycles is possible without protection of the N-H groups. The method provides a simple, metal-free alternative for the synthesis of biol. interesting arylated heterocycles under mild conditions. In addition to this study using 2-Chloro-1H-benzo[d]imidazole, there are many other studies that have used 2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1Safety of 2-Chloro-1H-benzo[d]imidazole) was used in this study.

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.Safety of 2-Chloro-1H-benzo[d]imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2002,Major, Dan T.; Laxer, Avital; Fischer, Bilha published 《Protonation Studies of Modified Adenine and Adenine Nucleotides by Theoretical Calculations and 15N NMR》.Journal of Organic Chemistry published the findings.Recommanded Product: 16681-56-4 The information in the text is summarized as follows:

The acid/base character of nucleobases affects phenomena such as self-association, interaction with metal ions, mol. recognition by proteins, and nucleic acid base-pairing. Therefore, the investigation of proton-transfer equilibrium of natural and synthetic nucleos(t)ides is of great importance to obtain a deeper understanding of these phenomena. For this purpose, a set of ATP prototypes was investigated using 15N NMR spectroscopy, and the corresponding adenine bases were investigated by theor. calculations 15N NMR measurements provided not only acidity constants but also information on the protonation site(s) on the adenine ring and regarding the ratio of the singly protonated species in equilibrium Substituents of different nature and position on the adenine ring did not change the preferred protonation site, which remained N1. However, for 2-thioether-ATP derivatives a mixed population of N1 and N7 singly protonated species was observed Reduction of basicity of 0.4-1 pKa units relative to ATP was also observed for all evaluated ATP derivatives, except for 2-Cl-ATP, for which Ka was ∼10,000-fold lower. To explain the substitution-dependent variations in the exptl. pKa values of the ATP analogs, gas-phase proton affinities (PA), ΔΔGhyd, and pKa values of the corresponding adenine bases were calculated using quantum mech. methods. The computed PA and ΔΔGhyd values successfully explained the exptl. pKa values. A computational procedure for the prediction of accurate pKa values was developed using d. functional theory and polarizable continuum model calculations In this procedure, we developed a set of parameters for the polarizable continuum model that was fitted to reproduce exptl. pKa values of nitrogen heterocycles. This method is proposed for the prediction of pKa values and protonation site(s) of purine analogs that have not been synthesized or analyzed. In the experimental materials used by the author, we found 2-Bromo-1H-imidazole(cas: 16681-56-4Recommanded Product: 16681-56-4)

2-Bromo-1H-imidazole(cas: 16681-56-4) is a member of imidazole. Its exclusive structural characteristics with enviable electron-rich features are favorable for imidazole-based fused heterocycles to bind efficiently with an array of enzymes and receptors in biological systems through various weak interactions like hydrogen bonds, ion-dipole, cation-π, π-π stacking, coordination, Van der Waals forces, hydrophobic effects, etc., and therefore they demonstrate widespread bioactivities. Recommanded Product: 16681-56-4

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 1974,Melendez, E.; Vilarrasa, J. published 《Diazo-, azo-, and azidoazoles. II. 2-Diazoimidazole》.Anales de Quimica (1968-1979) published the findings.Recommanded Product: 2-Bromo-1H-imidazole The information in the text is summarized as follows:

2-Diazoimidazole (I) and 3-diazo-s-triazole were prepared from the amines and their pKa determined I yielded 2-azidoimidazole, probably by dimerization and cleavage of the tetrazene. The experimental process involved the reaction of 2-Bromo-1H-imidazole(cas: 16681-56-4Recommanded Product: 2-Bromo-1H-imidazole)

2-Bromo-1H-imidazole(cas: 16681-56-4) is a member of imidazole. Its exclusive structural characteristics with enviable electron-rich features are favorable for imidazole-based fused heterocycles to bind efficiently with an array of enzymes and receptors in biological systems through various weak interactions like hydrogen bonds, ion-dipole, cation-π, π-π stacking, coordination, Van der Waals forces, hydrophobic effects, etc., and therefore they demonstrate widespread bioactivities. Recommanded Product: 2-Bromo-1H-imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

The author of 《Syntheses and spectral properties of substituted imidazolidones and imidazolines》 were Kohn, Harold; Cravey, Melanie J.; Arceneaux, Janice H.; Cravey, Rodney L.; Willcott, M. R. III. And the article was published in Journal of Organic Chemistry in 1977. Quality Control of Methyl 2-(methylthio)-4,5-dihydro-1H-imidazole-1-carboxylate The author mentioned the following in the article:

Imidazolidones I (R = H, Me, Ac, CO2Me; R1 = Me, Ac, CO2Me, CO2Et; Z = O, S) and imidazolines II (R = H, Me, Ac, CO2Me; R1 = Me, Et, allyl, CH2Ph, CH2Bz, CH2COMe, CH2CO2Et; Z = O, S) (40 compounds) were prepared by a variety of synthetic methods. Acyl-substituted I (X = O) were prepared by treating I (R1 = H) with NaH, then an acylating agent and I (X = S) by adding the acylating agent to a mixture of I (R1 = H) and pyridine. I and II are potential model compounds for the coenzyme biotin. Mass, ir, 1H NMR, and 13C NMR spectral properties of I and II were described.Methyl 2-(methylthio)-4,5-dihydro-1H-imidazole-1-carboxylate(cas: 60546-77-2Quality Control of Methyl 2-(methylthio)-4,5-dihydro-1H-imidazole-1-carboxylate) was used in this study.

Methyl 2-(methylthio)-4,5-dihydro-1H-imidazole-1-carboxylate(cas: 60546-77-2) belongs to imidazoles.Although other azole heterocycles are ubiquitous in a wide range of biologically active natural products, imidazole rings occur predominantly in the natural amino acid histidine. In addition, imidazole rings are part of unnatural cyclic peptides and are used as ester isosteres in peptidomimetic studies. Quality Control of Methyl 2-(methylthio)-4,5-dihydro-1H-imidazole-1-carboxylate

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Product Details of 2403-66-9On September 12, 2005 ,《Selective nitrogen protection of hydroxyalkylbenzimidazoles using 2,2,2-trichloroethylchloroformate》 was published in Tetrahedron Letters. The article was written by Woudenberg, Richard C.; Coughlin, E. Bryan. The article contains the following contents:

A method for selective N-protection of hydroxyalkylbenzimidazoles using 2,2,2-trichloroethylchloroformate (Troc-Cl) applicable to various alkyl chain lengths was developed. In the specific case of 5-(1-[2,2,2-trichloroethyl formyl]-benzimidazol-2-yl)-propan-1-ol, migration of Troc from the benzimidazole to the primary alc. occurs in the presence of triethylamine, allowing the choice of selective N-Troc or O-Troc protection. After reading the article, we found that the author used 3-(1H-Benzo[d]imidazol-2-yl)propan-1-ol(cas: 2403-66-9Product Details of 2403-66-9)

3-(1H-Benzo[d]imidazol-2-yl)propan-1-ol(cas: 2403-66-9) belongs to imidazoles.Although other azole heterocycles are ubiquitous in a wide range of biologically active natural products, imidazole rings occur predominantly in the natural amino acid histidine. In addition, imidazole rings are part of unnatural cyclic peptides and are used as ester isosteres in peptidomimetic studies. Product Details of 2403-66-9

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem