Benzotriazole-1-carboxamide

Base Information

• Chemical Name: Benzotriazole-1-carboxamide
• CAS No.: 5933-29-9
• Molecular Formula: C7H6N4O
• Molecular Weight: 162.15
• Hs Code.: 2933990090
• European Community (EC) Number: 623-506-9
• DSSTox Substance ID: DTXSID90396222
• Nikkaji Number: J2.667.273B
• Wikidata: Q82196823
• Mol file: 5933-29-9.mol

Synonyms:Benzotriazole-1-carboxamide;5933-29-9;1H-1,2,3-benzotriazole-1-carboxamide;1H-benzo[d][1,2,3]triazole-1-carboxamide;1H-BENZOTRIAZOLE-1-CARBOXAMIDE;benzotriazol-1-carboxamide;SCHEMBL443991;DTXSID90396222;AKOS015888981

Chemical Property of Benzotriazole-1-carboxamide

Chemical Property:

• Melting Point: 170-175 °C(lit.)
• PSA: 73.80000
• LogP: 1.05840
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 162.05416083
• Heavy Atom Count: 12
• Complexity: 196

Purity/Quality:

99% ^*data from raw suppliers

Benzotriazole-1-carboxamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=NN2C(=O)N
• Uses: New Benzotriazole Reagents

Technology Process of Benzotriazole-1-carboxamide

There total 3 articles about Benzotriazole-1-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: 77.0%

1-amino-2-ureidobenzene (114-39-6) → benzotriazole-1-carboxamide (5933-29-9)

Guidance literature:

With hydrogenchloride; sodium nitrite; In water; at 0 - 10 ℃;

DOI:10.1080/00397910802136698

Reference yield:

ethyl (1H-benzotriazol-1-yl)acetate (69218-46-8) → benzotriazole-1-carboxamide (5933-29-9)

Guidance literature:

With n-butyllithium; n-Butyl nitrite; Yield given. Multistep reaction; 1.) THF, hexane, -78 deg C, 1 h, 2.) THF, RT, overnight;

Reference yield:

→ benzotriazole-1-carboxamide (5933-29-9)

Guidance literature:

Benzotriazol, KCNO ;

upstream raw materials:

ethyl (1H-benzotriazol-1-yl)acetate

1-amino-2-ureidobenzene