Benzoic acid, 2-azido-5-nitro-

Base Information

• Chemical Name: Benzoic acid, 2-azido-5-nitro-
• CAS No.: 54974-61-7
• Molecular Formula: C7H4N4O4
• Molecular Weight: 208.133
• DSSTox Substance ID: DTXSID70480299
• Mol file: 54974-61-7.mol

Synonyms:2-azido-5-nitrobenzoic acid;Benzoic acid, 2-azido-5-nitro-;54974-61-7;SCHEMBL14491591;DTXSID70480299

Chemical Property of Benzoic acid, 2-azido-5-nitro-

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 208.02325462
• Heavy Atom Count: 15
• Complexity: 319

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)N=[N+]=[N-]

Technology Process of Benzoic acid, 2-azido-5-nitro-

There total 6 articles about Benzoic acid, 2-azido-5-nitro- 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: 95.0%

5-nitro-1-(4-methylphenyl)-1,2-benziodoxol-3-(1H)-one → 2-azido-5-nitrobenzoic acid (54974-61-7)

Guidance literature:

With sodium azide; In dimethyl sulfoxide; at 80 ℃; for 0.166667h;

DOI:10.1002/ejoc.201701595

Reference yield:

2-amino-5-nitro-benzoic acid (616-79-5) → 2-azido-5-nitrobenzoic acid (54974-61-7)

Guidance literature:

With hydrogenchloride; sodium azide; sodium acetate; sodium nitrite; Yield given. Multistep reaction; 1.) water, <5 deg C;

Reference yield:

5-nitro-1-(2,4,6-trimethylphenyl)-1,2-benziodoxol-3-(1H)-one → 2-azido-5-nitrobenzoic acid (54974-61-7)

Guidance literature:

With sodium azide; In dimethyl sulfoxide; at 80 ℃; for 4h;

DOI:10.1002/ejoc.201701595

upstream raw materials:

2-fluoro-5-nitrobenzoic acid

2-amino-5-nitro-benzoic acid

Downstream raw materials:

C₂₀H₁₇N₅O₄

3-benzyl-2-(1-(benzyl(methyl)amino)heptyl)-6-nitroquinazolin-4(3H)-one

2-Azido-5-nitro-N-(4-nitro-phenyl)-benzamide

3-chloro-2-(p-nitrophenyl)-5-nitro-2H-indazole