(5-Amino-1H-1,2,4-triazol-1-yl)(2-nitrophenyl)methanone

Base Information

Chemical Name:(5-Amino-1H-1,2,4-triazol-1-yl)(2-nitrophenyl)methanone
CAS No.:104035-16-7
Molecular Formula:C9H7N5O3
Molecular Weight:233.186
Hs Code.:
DSSTox Substance ID:DTXSID90546467
Wikidata:Q82424314
Mol file:104035-16-7.mol

Synonyms:104035-16-7;DTXSID90546467;(5-Amino-1H-1,2,4-triazol-1-yl)(2-nitrophenyl)methanone

Suppliers and Price of (5-Amino-1H-1,2,4-triazol-1-yl)(2-nitrophenyl)methanone

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of (5-Amino-1H-1,2,4-triazol-1-yl)(2-nitrophenyl)methanone

Chemical Property:

XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:233.05488910
Heavy Atom Count:17
Complexity:318

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C(=C1)C(=O)N2C(=NC=N2)N)[N+](=O)[O-]

Technology Process of (5-Amino-1H-1,2,4-triazol-1-yl)(2-nitrophenyl)methanone

There total 1 articles about (5-Amino-1H-1,2,4-triazol-1-yl)(2-nitrophenyl)methanone 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: 66.0%

: 61-82-5
3-amino-1,2,4-triazole

: 610-14-0
2-nitrobenzyl chloride

: 104035-16-7
3-amino-2-(2-nitrobenzoyl)-2H-1,2,4-triazole

Guidance literature:: With pyridine; for 1h; Ambient temperature;
DOI:10.1021/jm00161a045

Reference yield: 96.0%

: 104035-16-7
3-amino-2-(2-nitrobenzoyl)-2H-1,2,4-triazole

: 104035-17-8
2-nitro-N-2H-1,2,4-triazol-3-ylbenzamide

Guidance literature:: at 250 ℃; for 0.0833333h;
DOI:10.1021/jm00161a045

Reference yield:

: 104035-16-7
3-amino-2-(2-nitrobenzoyl)-2H-1,2,4-triazole

: 104035-18-9
2-amino-N-2H-1,2,4-triazol-3-ylbenzamide

Guidance literature:: Multi-step reaction with 2 steps

1: 96 percent / 0.08 h / 250 °C

2: 45 percent / H₂ / 5percent Pd/C / methanol / 1 h

With hydrogen; palladium on activated charcoal; In methanol;
DOI:10.1021/jm00161a045