25784-56-9

Basic information

• Product Name: 5-Amino-1-benzyl-1H-1,2,3-triazole-4-carboxylic acid
• Synonyms: 1H-1,2,3-Triazole-4-carboxylic acid, 5-amino-1-benzyl-;5-amino-1-(benzyl)triazole-4-carboxylic acid;5-amino-1-(phenylmethyl)-1,2,3-triazole-4-carboxylic acid;5-amino-1-(phenylmethyl)-4-triazolecarboxylic acid;5-amino-1-(phenylmethyl)triazole-4-carboxylic acid
• CAS NO: 25784-56-9
• Molecular Formula: C₁₀H₁₀N₄O₂
• Molecular Weight: 218.22
• Mol File: 25784-56-9.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 504°Cat760mmHg
• Flash Point: 258.6°C
• Appearance: /
• Density: 1.47g/cm³
• Vapor Pressure: 5.56E-11mmHg at 25°C
• Refractive Index: 1.699
• PKA: 3.65±0.50(Predicted)
• CAS DataBase Reference: 5-Amino-1-benzyl-1H-1,2,3-triazole-4-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Amino-1-benzyl-1H-1,2,3-triazole-4-carboxylic acid(25784-56-9)
• EPA Substance Registry System: 5-Amino-1-benzyl-1H-1,2,3-triazole-4-carboxylic acid(25784-56-9)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 25784-56-9(Hazardous Substances Data)

Usage

General Description

5-Amino-1-benzyl-1H-1,2,3-triazole-4-carboxylic acid is a chemical compound with the molecular formula C10H11N5O2. 5-Amino-1-benzyl-1H-1,2,3-triazole-4-carboxylic acid falls in the category of organic substances, specifically organoheterocyclic compounds. It is characterized by a benzyl group which is an aromatic ring (benzene) attached to an alkyl group. It also contains a triazole ring which is a five-membered ring structure containing three nitrogen atoms and two carbon atoms, along with a carboxylic acid group. Most often, it is utilized in chemical synthesis and research applications. More detailed information about its physical properties, toxicity, and uses would require further scientific and safety data analysis.

InChI:InChI=1/C10H10N4O2/c11-9-8(10(15)16)12-13-14(9)6-7-4-2-1-3-5-7/h1-5H,6,11H2,(H,15,16)

Upstream product

• 372-09-8 cyanoacetic acid 
• 622-79-7 benzyl azide 

Downstream Products

• 1611444-62-2 1-benzyl-N-(4-fluoro-2-methylphenyl)-1H-1,2,3-triazol-5-amine 
• 1611444-61-1 N-[[2-[(3-benzyltriazol-4-yl)amino]-5-chlorophenyl]methyl]acetamide 
• 1611444-59-7 N-[2-(aminomethyl)-4-chlorophenyl]-3-benzyltriazol-4-amine 
• 1611444-60-0 2-[(3-benzyltriazol-4-yl)amino]-5-chlorobenzonitrile 
• 1648842-50-5 2-((1-benzyl-1H-1,2,3-triazol-5-yl)amino)-5-chlorobenzoic acid 
• 1611444-58-6 [2-[(3-benzyltriazol-4-yl)amino]-5-chlorophenyl]methanol 
• 25784-58-1 1-benzyl-1H-1,2,3-triazol-5-amine 
• 1611444-77-9 3-{2-[(1-benzyl-1H-1,2,3-triazol-5-yl)amino]-5-chlorophenyl}-2,2-dimethylpropanoic acid 
• 1611444-75-7 3-(2-((1-benzyl-1H-1,2,3-triazol-5-yl)amino)-5-chlorobenzylidene)cyclobutanecarboxylic acid 

Relevant articles and documents

Atropisomers of 2,3-disubstituted-(5.6)-heteroaryl fused-pyrimidin-4-ones

The present invention relates to novel atropisomers of 2,3-disubstituted-(5,6)-heteroarylfused-pyrimidin-4-ones, pharmaceutical compositions containing such compounds the use of such compounds to treat neurodegenerative, psychotropic, and drug and alcohol induced central and peripheral nervous system disorders.

Novel 2,3-disubstituted-(5,6)- heteroarylfused-pyrimidine-4-ones

From EXEMP_CLAIMS : 1. A bicyclic compound of the formula wherein ring positions ""F"" and ""G"" may be independently selected from carbon, nitrogen, oxygen or sulfur, and J is independently selected from carbon, nitrogen or oxygen with the proviso that: i) if more than two of ""F"", ""G"" or ""J"" is a heteroatom then said 5 membered heteroaromatic ring is selected from the group consisting of (1,2,3)-triazole, (1,2,3)-thiadiazole, (1,2,5)-thiadiazole, and (1,2,5)-oxadiazole; and ii) if two of ""F"", ""G"" or ""J"" are heteroatoms, one of said heteroatoms may be oxygen or sulfur; wherein said fused heteroaromatic rings may optionally be independently substituted on any of the carbon or nitrogen atoms capable of forming an additional bond with a substituent selected from hydrogen, (C1-C6)alkyl, halogen, trifluoromethyl, amino-(CH2)n-, (C1-C6)alkylamino-(CH2)p-, di(C1-C6)alkyl-amino-(CH2)n-, (C1-C6)alkoxy, hydroxy(C1-C6)alkyl, (C1-C6)alkyl-O-(C1-C6)alkyl-, -CN, hydroxy,-NO2, R3-C(=O)-, R4-O-C(=O)-, di(C1-C6)alkyl-N-C(=O)-, (C1-C6)cycloalkyl, and R4-NH-C(=O)-, and phenyl optionally substituted with halo, (C1-C6) alkyl, -CN, or -CF3; R1 is substituted phenyl of the formula Ph1 or heteroaryl wherein said heteroaryl is selected from the group consisting of pyridin-2-yl, pyridin-3-yl, pyridin-4-yl, wherein said heteroaryl may optionally be substituted on any of the atoms capable of forming an additional bond, up to a maximum of three substituents, with a substituent selected from hydrogen, (C1-C6)alkyl, halogen, trifluoromethyl, amino-(CH2)n-, (C1-C6)alkylamino-(CH2)n-, di(C1-C6)alkyl-amino-(CH2)n-, (C1-C6)alkoxy, hydroxy(C1-C6)alkyl, (C1-C6)alkyl-O-(C1-C6)alkyl-, -CN, hydroxy, H-C(=O)-, (C1-C6)alkyl-C(=O)-, HO-C(=O)-, (C1-C6)alkyl-O-C(=O)-, NH2-C(=O)-, (C1-C6)alkyl-NH-C(=O)-, (=O)-, and di(C1-C6)alkyl-NH-C(=O)-; wherein said Ph1 is a group of the formula R2 is disubstituted phenyl of the formula Ph2 or a five or six membered heterocycle, wherein said 6-membered heterocycle has the formula wherein ""N"" is nitrogen; wherein said ring positions ""K"", ""L"" and ""M"" may be independently selected from carbon or nitrogen, with the proviso that only one of ""K"", ""L"" or ""M"" can be nitrogen; wherein said five membered heterocycle has the formula wherein said ring positions ""P,"" ""Q"" and ""T"" may be independently selected from carbon, nitrogen, oxygen or sulfur; with the proviso that only one of ""P,"" ""Q"" or T can be oxygen or sulfur and at least one of ""P,"" ""Q"" or ""T"" must be a heteroatom; wherein said Ph2 is a disubstituted group of the formula R3 is hydrogen or (C1-C6) alkyl; R4 is hydrogen or (C1-C6) alkyl; R5 is hydrogen (C1-C6)alkyl, halo, CF3, (C1-C6)alkoxy or (C1-C6)alkylthiol; R6 is hydrogen or halo; R7 is hydrogen or halo; R8 is hydrogen or halo; R9 is hydrogen, (C1-C6)alkyl optionally substituted with one to three halogen atoms, halo, CF3, [C1-C6)alkoxy optionally substituted with one to three halogen atoms, (C1-C6)alkylthiol, R13O-(CH2)p-, (C1-C6)alkyl-NH-(CH2)p-, di(C1-C6)alkyl-N-(CH2)n-, (C1-C5)cycloalkyl-NH-(CH2)p-, H2N-(C=O)-(CH2)p-, (C1-C6)alkyl-HN-(C=O)-(CH2)p-, di(C1-C6)alkyl-N-(C=O)-(CH2)p-, (C1-C5)cycloalkyl-NH-(C=O)-(CH2)p-R13O-(C=O)-(CH2)p-(C1-C6)alkyl-(O=C)-O-(C1-C6)-alkyl-, (C1-C6)alkyl-O-(O=C)-O-(C1-C6)-alkyl-, (C1-C6)alkyl(O=C)-O-, (C1-C6)alkyl-(O=C)-NH-(CH2)p-, H(O=C)-NH-(CH2)p-, hydroxy, H-C(=O)-(CH2)p-, (C1-C6)alkyl-C(=O)-, (C1-C6)alkyl-O-C(=O)-, R4-(CH2)p-O-C(=O)-, amino-(CH2)p-, hydroxy-(C1-C6)alkyl-, (C1-C6)alkyl-O-(C1-C6)alkyl-, and -CN; R10 and R14 are hydrogen, (C1-C6)alkyl optionally substituted with one to three halogen atoms, halo, CF3, (C1-C6)alkoxy optionally substituted with one to three halogen atoms, (C1-C6)alkyl-NH-(CH2)p-, (C1-C6)alkyl-NH-(CH2)p-, di(C1-C6)alkyl-N-(CH2)p-, (C1-C5)cycloalkyl-NH-(CH2)p-, H2N-(C=O)-(CH2)p-, (C1-C6)alkyl-HN-(C=O)-(CH2)p-, di(C1-C6)alkyl-N-(C=O)-(CH2)p-, (C1-C5)cycloalkyl-NH-(C=O)-(CH2)p-, R13O-(C=O)-(CH2)p-, (C1-C6)alkyl-(O=C)-O-(C1-C6)alkyl-, (C1-C6)alkyl-O-(O=C)-O-(C1-C6)-alkyl-, (C1-C6)alkyl-(O=C)-O-, (C1-C6)alkyl-(O=C)-NH-(CH2)p-, H(O=C)-NH-(CH2)p-, hydroxy, H-C(=O)-(CH2)p-, (C1-C6)alkyl-C(=O)-, (C1-C6)alkyl-O-C(=O)-, R4-(CH2)p-O-C(=O)-, amino-(CH2)p-, hydroxy-(C1-C6)alkyl, (C1-C6)alkyl-O-(C1-C6)alkyl. -CHO and -CN; R11 is hydrogen or halo; R12 is hydrogen or halo; R13 is hydrogen, (C1-C6)alkyl, (C1-C6)alkyl-(C=O)-, (C1-C6)alkyl-O-(C=O)-, (C1-C6)alkyl-O-(C=O)-, or di(C1-C6)alkyl-N-(C=O)-; R15 is hydrogen, -CN, (C1-C6) alkyl, halo, CF3, -CHO or (C1-C6)alkoxy; R16 is hydrogen, -CN, (C1-C6)alkyl, halo, CF3, -CHO or (C1-C6)alkoxy; R17 is hydrogen, -CN, (C1-C6)alkyl, halo, CF3, CHO or (C1-C6)alkoxy; n is an integer from zero to 3; p is an integer from zero to 3; wherein the dashed bond represented an optional double bond; with the proviso that when R9 is hydrogen, then one of R11 and R12 is other than hydrogen; and the pharmaceutically acceptable salts of such compounds.