1H-1,2,3-triazole-4-carboxamide

Base Information

• Chemical Name: 1H-1,2,3-triazole-4-carboxamide
• CAS No.: 53897-99-7
• Molecular Formula: C₃H₄N₄O
• Molecular Weight: 112.091
• European Community (EC) Number: 869-651-3
• DSSTox Substance ID: DTXSID001304401
• Nikkaji Number: J1.955.457K
• Mol file: 53897-99-7.mol

Synonyms:53897-99-7;1H-1,2,3-triazole-4-carboxamide;1H-1,2,3-Triazole-5-carboxamide;2H-triazole-4-carboxamide;1H-[1,2,3]Triazole-4-carboxylic acid amide;triazolic imine;triazole carboxamide;SCHEMBL44757;triazole-5 carboxylic acid amide;DTXSID001304401;2H-1,2,3-Triazole-4-carboxamide;AKOS010599976;SB37572;573714-81-5;EN300-113005;G53483;Z803943044

Chemical Property of 1H-1,2,3-triazole-4-carboxamide

Chemical Property:

• XLogP3: -1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 112.03851076
• Heavy Atom Count: 8
• Complexity: 104

Purity/Quality:

98%min ^*data from raw suppliers

1H-1,2,3-triazole-4-carboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NNN=C1C(=O)N

Technology Process of 1H-1,2,3-triazole-4-carboxamide

There total 6 articles about 1H-1,2,3-triazole-4-carboxamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 61.0%

5-Amino-4-hydroxypyrimidine (69785-94-0) → 1H-1,2,3-triazole-4-carboxamide (53897-99-7) + C4H4N4O2 (106913-63-7)

Guidance literature:

With hydrogenchloride; sodium nitrite; In water; 1.) 0-5 deg C, 4 h, 2.) room temp.,;

Reference yield:

5-diazo-6-hydroxydihydrouracil (38099-09-1) → 1H-1,2,3-triazole-4-carboxamide (53897-99-7)

Guidance literature:

In acetonitrile; at 150 ℃;

DOI:10.1016/S0040-4039(00)79379-8

Reference yield:

→ 1H-1,2,3-triazole-4-carboxamide (53897-99-7)

Guidance literature:

With potassium hydroxide;

upstream raw materials:

ethyl 1H-1,2,3-triazole-4-carboxylate

C₄H₄N₄O₂

5-Amino-4-hydroxypyrimidine

5-diazo-6-hydroxydihydrouracil

Downstream raw materials:

1H-1,2,3-triazole-4-carboxylic acid

Refernces

• 1、 Nemeryuk, Michal P.,Sedov, Andrej L.,Safonova, Tamara S.,Cerny, Antonin,Krepelka, Jiri. "TRANSFORMATIONS OF SUBSTITUTED 5-AMINOPYRIMIDINES UNDER CONDITIONS OF THE DIAZOTIZATION". . p. 215 - 233. Retrieved 2007/10/02.