Tag: M.W=100-200

COA of Formula: C7H11NO2. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: tert-Butyl 2-cyanoacetate, is researched, Molecular C7H11NO2, CAS is 1116-98-9, about A prostate-specific membrane antigen activated molecular rotor for real-time fluorescence imaging. Author is Zhang, Jingming; Rakhimbekova, Anastasia; Duan, Xiaojiang; Yin, Qingqing; Foss, Catherine A.; Fan, Yan; Xu, Yangyang; Li, Xuesong; Cai, Xuekang; Kutil, Zsofia; Wang, Pengyuan; Yang, Zhi; Zhang, Ning; Pomper, Martin G.; Wang, Yiguang; Barinka, Cyril; Yang, Xing.

Surgery is an efficient way to treat localized prostate cancer (PCa), however, it is challenging to demarcate rapidly and accurately the tumor boundary intraoperatively, as existing tumor detection methods are seldom performed in real-time. To overcome those limitations, we develop a fluorescent mol. rotor that specifically targets the prostate-specific membrane antigen (PSMA), an established marker for PCa. The probes have picomolar affinity (IC50 = 63-118 pM) for PSMA and generate virtually instantaneous onset of robust fluorescent signal proportional to the concentration of the PSMA-probe complex. In vitro and ex vivo experiments using PCa cell lines and clin. samples, resp., indicate the utility of the probe for biomedical applications, including real-time monitoring of endocytosis and tumor staging. Experiments performed in a PCa xenograft model reveal suitability of the probe for imaging applications in vivo.

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Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, Research Support, N.I.H., Extramural, Research Support, Non-U.S. Gov’t, Research Support, U.S. Gov’t, Non-P.H.S., Science (Washington, DC, United States) called A general alkyl-alkyl cross-coupling enabled by redox-active esters and alkylzinc reagents, Author is Qin, Tian; Cornella, Josep; Li, Chao; Malins, Lara R.; Edwards, Jacob T.; Kawamura, Shuhei; Maxwell, Brad D.; Eastgate, Martin D.; Baran, Phil S., which mentions a compound: 3724-19-4, SMILESS is OC(=O)CCC1=CC=CN=C1, Molecular C8H9NO2, Application In Synthesis of 3-Pyridinepropionic acid.

N-Hydroxytetrachlorophthalimide esters of carboxylic acids such as I (Ts = 4-MeC6H4SO2) underwent chemoselective coupling reactions with alkylzinc reagents such as R2Zn [R = Me, [13C]Me, Et, Bu, Me(CH2)8, H2C:CH(CH2)n, cyclohexylmethyl, Ph(CH2)5, MeCCCH2CH2, Me3SiCC(CH2)3, Cl(CH2)4, PhCH2O(CH2)3, TBDMSO(CH2)3, 2-(1,3-dioxan-2-yl)ethyl] (purchased or generated in situ) in the presence of NiCl2(MeOCH2CH2OMe) [NiCl2(glyme)] to yield decarboxylated coupling products such as II [R = Me, [13C]Me, Et, Bu, Me(CH2)8, H2C:CH(CH2)n, cyclohexylmethyl, Ph(CH2)5, MeCCCH2CH2, Me3SiCC(CH2)3, Cl(CH2)4, PhCH2O(CH2)3, TBDMSO(CH2)3, 2-(1,3-dioxan-2-yl)ethyl], allowing activated alkylcarboxylic acids to be used chemoselectively in coupling reactions instead of their parent alkyl derivatives The method was also used in conjunction with solid-phase peptide synthesis to yield peptides with novel side chains through activation of aspartate, glutamate, and proline γ-amides of glutamate residues. N-Hydroxyphthalimide esters of tertiary alkyl carboxylic acids such as pivalic acid underwent conjunctive coupling and decarboxylation reactions with the activated Knochel zinc reagent PhZnCl·LiCl (generated in situ from PhBr) and benzyl acrylate in the presence of NiCl2(glyme) to give benzyl α-phenyl-β-tert-alkyl carboxylates such as t-BuCH2CHPhCO2CH2Ph.

Although many compounds look similar to this compound(3724-19-4)Application In Synthesis of 3-Pyridinepropionic acid, numerous studies have shown that this compound(SMILES:OC(=O)CCC1=CC=CN=C1), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Product Details of 1116-98-9. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: tert-Butyl 2-cyanoacetate, is researched, Molecular C7H11NO2, CAS is 1116-98-9, about A general method to optimize and functionalize red-shifted rhodamine dyes. Author is Grimm, Jonathan B.; Tkachuk, Ariana N.; Xie, Liangqi; Choi, Heejun; Mohar, Boaz; Falco, Natalie; Schaefer, Kathy; Patel, Ronak; Zheng, Qinsi; Liu, Zhe; Lippincott-Schwartz, Jennifer; Brown, Timothy A.; Lavis, Luke D..

Expanding the palette of fluorescent dyes is vital to push the frontier of biol. imaging. Although rhodamine dyes remain the premier type of small-mol. fluorophore owing to their bioavailability and brightness, variants excited with far-red or near-IR light suffer from poor performance due to their propensity to adopt a lipophilic, nonfluorescent form. Herein a framework for rationalizing rhodamine behavior in biol. environments and a general chem. modification for rhodamines that optimizes long-wavelength variants and enables facile functionalization with different chem. groups is reported. This strategy yields red-shifted ‘Janelia Fluor’ (JF) dyes useful for biol. imaging experiments in cells and in vivo.

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Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Ultraviolet spectra of 2-substituted furans and 5-substituted methyl furoates》. Authors are Manly, Donald G.; Amstutz, E. D..The article about the compound:Methyl 5-chlorofuran-2-carboxylatecas:58235-81-7,SMILESS:O=C(C1=CC=C(Cl)O1)OC).Reference of Methyl 5-chlorofuran-2-carboxylate. Through the article, more information about this compound (cas:58235-81-7) is conveyed.

Ultraviolet spectral data for simple furan compounds are reported. 2-Substituted furans were prepared by the methods of Manly and Amstutz (C.A. 51, 3549f). Passing Cl through rapidly stirred Me 2-furoate 3 hrs. at 150° gave 42% 5-Cl derivative, m. 40-1°, and 5-methoxy-2-furoates were prepared as previously reported (loc. cit.). 5-Phenylthio-2-furoic acid (loc. cit.) with CH2N2 gave 98% Me ester (I), b0.5 146-8° m. 39-40°. I with excess 30% H2O2 in AcOH gave a quant. yield of Ph 5-carbomethoxy-2-furyl sulfone, needles, m. 102-3°. Me 5-nitro-2-furoate, m. 79-80°, was prepared by the method of Freure and Johnson (C.A. 25, 1825). Carbonation of 4-PhOC6H4MgBr gave the acid, m. 158-9°; Me ester, m. 56-7° (95% EtOH), λmaximum 258.0 mμ (log ε 4.26). Addition of 4-HO2CC6H4N2Cl to PhSH in cold dilute NaOH gave a poor yield of 4-PhSC6H4CO2H, m. 170-4° (95% EtOH); Me ester (II), m. 69-70°, λmaximum 293.2 mμ (log ε 4.23). II with H2O2 yielded 4-PhSO2C6H4CO2Me, m. 145-6° (95% EtOH), λ 242.5 mμ (log ε 4.29). Other compounds reported (m.p. or b.p., λmaximum (mμ), and log ε given): BzOMe, b15 85°, 220.8, 4.08; 4-BrC6H4CO2Me, m. 77-8°, 245.0, 4.26; 4-MeOC6H4CO2Me, m. 47-8°, 256.5, 4.43; 4-O2NC6H4CO2Me, m. 95-6°, 259.0, 4.12; 1,4-C6H4(CO2Me)2, m. 139-40°, 242.5 4.47; Ph2SO2, m. 128-30°, 236.3 4.17; Ph2S, b15 151-3°, 231.8, 3.80; Ph2O, b12 129.5°, 226.7, 4.01. The following ultraviolet spectral data are reported for the 2-substituted furans [2-substituent, λmaximum (mμ), log ε, Δ λ(λmaximum – λ where λ = 208), ΔλPh (λmaximum – λ where λ = 203.5 given]: H, 208 (by extrapolation), 3.9, 0, 0; Br, 215.5, 3.99, 7.5, 6.5; MeO, 221.0, 3.82, 13.0, 13.5; PhO, 222.0, 4.06, 14.0, 23.2; PhS, 241.5, 4.21, 33.5, 28.3; PhSO2, 249.5, 4.13, 41.5, 32.8; MeO2C, 252.1, 4.13, 44.1, 26.3. The following ultraviolet spectral data are reported for the Me 5-substituted-2-furoates (5-substituent given): H, 252.1, 4.13, 44.1, 26.3; Cl, 260.5, 4.23, 52.5, 37.5; PhSO2, 261.7, 4.33, 53.7, 39.0; Br, 264.1, 4.23, 56.1, 41.5; MeO2C, 264.6, 4.19, 56.6, 38.5; PhO, 275.0, 4.25, 67.0, 54.5; MeO, 279.0, 4.10, 71.5, 53.0; PhS, 291.8, 4.33, 83.8, 89.7; O2N, 295.4, 4.08, 87.4, 55.0.

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Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Recommanded Product: 3-Pyridinepropionic acid. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 3-Pyridinepropionic acid, is researched, Molecular C8H9NO2, CAS is 3724-19-4, about 4f-Block Metal Complexes as Secondary Building Units in Preparing 4d-4f Coordination Polymers: Preparation, Structures, and Luminescent Properties of [Ln2L6(H2O)4]·{[Ln2L4(H2O)6](NO3)2} and {[AgLnL2(H2O)3](NO3)2(H2O)4} (L = 3-Pyridinepropionate, Ln = Eu, Tb, Nd). Author is Zheng, Zhen Nu; Jang, Young Ok; Lee, Soon W..

Three new 4d-4f metal-organic coordination polymers were prepared by using 4f-block metal complexes as secondary building units. Discrete 4f complexes, [Ln2L6(H2O)4]·{[Ln2L4(H2O)8](NO3)2} {Ln = Eu (1), Tb (2), Nd (3)}, were prepared by microwave-heating a mixture of Ln(NO3)3·nH2O, 3-pyridinepropionic acid (HL), and NaOH in H2O for 1 min. Compounds 1-3 were subsequently treated with AgNO3 to form three-dimensional Ag-Ln coordination polymers, [AgLnL2(H2O)3](NO3)2(H2O)4 {Ln = Eu (4), Tb (5), Nd (6)}. Compounds 1-3 are isostructural and consist of two dimers: a neutral dimer and an ionic dimer. In these compounds, the pyridyl N atoms of ligands do not coordinate to the Ln3+ ions. In isostructural coordination polymers 4-6, the pyridyl N atoms are bonded to soft Ag+ ions, and carboxylate O atoms are bonded to hard Ln3+ ions. Compounds 1 and 4 exhibit practically the same red luminescence in the solid state, and compounds 2 and 5 exhibit the green luminescence, but compounds 3 and 6 do not exhibit photoluminescence in the visible region.

In some applications, this compound(3724-19-4)Recommanded Product: 3-Pyridinepropionic acid is unique.If you want to know more details about this compound, you can contact with the author or consult more relevant literature.

Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Name: tert-Butyl 2-cyanoacetate. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: tert-Butyl 2-cyanoacetate, is researched, Molecular C7H11NO2, CAS is 1116-98-9, about Design, Synthesis, and Structure-Activity Relationship of N-Aryl-N’-(thiophen-2-yl)thiourea Derivatives as Novel and Specific Human TLR1/2 Agonists for Potential Cancer Immunotherapy. Author is Chen, Zhipeng; Zhang, Lina; Yang, Junjie; Zheng, Lu; Hu, Fanjie; Duan, Siqin; Nandakumar, Kutty Selva; Liu, Shuwen; Yin, Hang; Cheng, Kui.

Herein, the chem. optimization of initial hit, 1-phenyl-3-(thiophen-2-yl)urea, which resulted in the identification of SMU-C80 I (V) (EC50 = 31.02 ± 1.01 nM) as a TLR2-specific agonist with a 370-fold improvement in bioactivity was presented. Mechanistic studies revealed that SMU-C80 (V), through TLR1/2, recruits the adaptor protein MyD88 and triggers the NF-κB pathway to release cytokines such as TNF-α and IL-1βfrom human, but not murine, cells. To the best of the knowledge, it is the first species-specific TLR1/2 agonist reported until now. Moreover, SMU-C80 (V) increased the percentage of T, B, and NK cells ex vivo and activated the immune cells, which suppressed cancer cell growth in vitro. In summary, a highly efficient and specific human TLR1/2 agonist II (R1 = H, Et, iso-Pr, phenylethyl, etc.; R2 = 4-fluorophenyl, naphth-1-yl, 4-bromonaphth-1-yl, etc.; n = 1-3; Y = O, S), III (R3 = H, phenyl) and IV (X = CH, N) that acts through the MyD88 and NF-κB pathway, facilitating cytokine release and the simultaneous activation of immune cells that in turn affects the apoptosis of cancer cells was obtained.

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Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Preparation of 3-(2-hydroxyethyl)pyridine》. Authors are Dornow, Alfred; Schacht, Wilhelm.The article about the compound:3-Pyridinepropionic acidcas:3724-19-4,SMILESS:OC(=O)CCC1=CC=CN=C1).Computed Properties of C8H9NO2. Through the article, more information about this compound (cas:3724-19-4) is conveyed.

Attempts to prepare 3-(2-hydroxyethyl)-2-methylpyridine analogous to the 5-(2-hydroxyethyl)-4-methylthiazole component of vitamin BI (I) from the corresponding 3-AcOCH2CO compound by Clemmensen reduction had given the (1-hydroxyethyl) compound, which, as well as 3-(1-hydroxyethyl)pyridine itself, yielded with the pyrimidine component of I compounds (II) having I activity in the pigeon test (C.A. 34, 5845.5). Since the (1-hydroxyethyl) isomer of I showed no aneuritic action (C.A. 37, 3091.5) it was to be expected that the (2-hydroxyethyl) isomers of compounds of this type would have increased vitamin activity. 1-(4-Amino-2-methyl-5-pyrimidylmethyl)-3-(2-hydroxyethyl)pyridinium chloride-HCl (III) was accordingly prepared by the following series of reactions. Quinolinic acid nitrate, C7H5NO4.HNO3, m. 152-4° (from dilute HNO3), prepared quantitatively from 8-hydroxyquinoline and HNO3 (d. 1.4) at 0-5°, was converted by heating 3 hrs. at 200-10° into nicotinic acid, m. 224-6° (85-90%), thence through the Me ester and hydrazide into the phenylsulfonylhydrazide which, decomposed with Na2CO3 in glycerol at 160°, gave, along with Ph2S2, 36% 3-pyridinecarboxaldehyde, b18 88-90°; this, heated 2 hrs. on the water bath with 1 mol. CH2(CO2H)2 in pyridine and a couple drops of piperidine, yielded 90-5% 3-pyridineacrylic acid, quantitatively hydrogenated by Pt oxide in water in 6-8 hrs. to 3-pyridinepropionic acid, m. 160-2° (from alc. or much AcOEt); Me ester (75-80% by refluxing the acid 3 hrs. in MeOH-concentrated H2SO4), b12 134.2-4.4°; amide (quant. yield from the ester allowed to stand several hrs. with 5 volumes concentrated NH4OH), prisms from acetone, m. 118-19°, converted by Br and KOH on the water bath into 3-(2-aminoethyl)pyridine, b14 115.0-15.4°, very hygroscopic and sensitive to CO2 (dipicrate, leaflets or needles from water, m. 211-12°; HCl salt, m. 204-5° (from alc. or alc.-acetone)); treated in ice-cold N H2SO4 with NaNO2 and heated on the water bath, the amine gave 75-80% 3-(2-hydroxyethyl)pyridine, b10 144.0-4.5° (urethan, scales from water, m. 100-2°), which, heated with 4-amino-5-(chloromethyl)-2-methylpyrimidine-HCl in PhNO2 1 hr. at 40°, gave 45-8% III, druses with 1 H2O from MeOH-Me2CO, m. 212-14°. Physiol. tests on III will be reported later.

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Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Recommanded Product: 3-Pyridinepropionic acid. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 3-Pyridinepropionic acid, is researched, Molecular C8H9NO2, CAS is 3724-19-4, about Copper-Catalyzed Decarboxylative Radical Silylation of Redox-Active Aliphatic Carboxylic Acid Derivatives. Author is Xue, Weichao; Oestreich, Martin.

A decarboxylative silylation of aliphatic N-hydroxyphthalimide (NHPI) esters using Si-B reagents as silicon pronucleophiles is reported. This C(sp3)-Si cross-coupling is catalyzed by copper(I) and follows a radical mechanism, even with exclusion of light. Both primary and secondary alkyl groups couple effectively, whereas tertiary alkyl groups are probably too sterically hindered. The functional-group tolerance is generally excellent, and α-heteroatom-substituted substrates also participate well. This enables, for example, the synthesis of α-silylated amines starting from NHPI esters derived from α-amino acids. The new method extends the still limited number of C(sp3)-Si cross-couplings of unactivated alkyl electrophiles.

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Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Category: imidazoles-derivatives. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: tert-Butyl 2-cyanoacetate, is researched, Molecular C7H11NO2, CAS is 1116-98-9, about Application of Vinamidinium Salt Chemistry for a Palladium Free Synthesis of Anti-Malarial MMV048: A “”Bottom-Up”” Approach. Author is Paymode, Dinesh J.; Chang, Le; Chen, Dan; Wang, Binglin; Kashinath, Komirishetty; Gopalsamuthiram, Vijayagopal; McQuade, D. Tyler; Vasudevan, N.; Ahmad, Saeed; Snead, David R..

MMV390048 is a clin. compound under investigation for antimalarial activity. A new synthetic route was developed which couples two aromatic fragments while forming the central pyridine ring over two steps. This sequence takes advantage of raw materials used in the existing etoricoxib supply chain and eliminates the need for palladium catalysts, which were projected to be major cost-drivers.

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Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Related Products of 1116-98-9. So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic. Compound: tert-Butyl 2-cyanoacetate, is researched, Molecular C7H11NO2, CAS is 1116-98-9, about Stereodivergent synthesis via iridium-catalyzed asymmetric double allylic alkylation of cyanoacetate.

Methods that enable the rapid construction of multiple C-C bonds using a single catalyst with high diastereo- and enantio-control are particularly valuable in organic synthesis. Here, authors report an Ir-catalyzed double allylic alkylation reaction in which bisnucleophilic cyanoacetate reacted successionally with electrophilic π-allyl-Ir species, producing various pseudo-C2-sym. cyanoacetate derivatives in high yield with excellent stereocontrol. More challenging sequential allylic alkylation/allylic alkylation with two distinct allylic carbonates that can deliver the corresponding products bearing three contiguous tertiary-quaternary-tertiary stereocenters was also developed by using a modified catalytic system, which is revealed to be associated with the quasi-dynamic kinetic resolution of the initially formed diastereomeric monoallylation intermediates. Notably, stereodivergence for this sequential process depending on a single iridium catalyst was successfully realized, and up to six stereoisomers could be predictably prepared by combining the appropriate enantiomer of the chiral ligand for the iridium catalyst and adjusting the adding sequence of two distinct allylic precursors.

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Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem