5-Azido-2-nitrobenzoic acid

Base Information

• Chemical Name: 5-Azido-2-nitrobenzoic acid
• CAS No.: 60117-34-2
• Molecular Formula: C₇H₄N₄O₄
• Molecular Weight: 208.133
• European Community (EC) Number: 621-018-0
• DSSTox Substance ID: DTXSID20408529
• NSC Number: 206134,137884
• Wikidata: Q82214034
• Mol file: 60117-34-2.mol

Synonyms:5-Azido-2-nitrobenzoic acid;60117-34-2;2-Nitro-5-azidobenzoic acid;SCHEMBL14190012;DTXSID20408529;2-NITRO-5-AZIDOBENZOICACID;NSC137884;NSC206134;AKOS024373584;NSC-137884;NSC-206134;FT-0708596

Chemical Property of 5-Azido-2-nitrobenzoic acid

Chemical Property:

• PSA: 132.87000
• LogP: 2.21076
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• 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:

99.5% ^*data from raw suppliers

2-NITRO-5-AZIDOBENZOIC ACID 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 5-11
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1N=[N+]=[N-])C(=O)O)[N+](=O)[O-]

Technology Process of 5-Azido-2-nitrobenzoic acid

There total 1 articles about 5-Azido-2-nitrobenzoic acid 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:

→ 5-azido-2-nitrobenzoic acid (60117-34-2)

Guidance literature:

Entspr. Aminobenzoesaeure, HCl, NaNO2, NaN3;

Reference yield: 31.0%

Geraniol (106-24-1) + 5-azido-2-nitrobenzoic acid (60117-34-2) → geranyl 5-azido-2-nitrobenzoate (106929-50-4)

Guidance literature:

With dicyclohexyl-carbodiimide; In acetonitrile; for 12h; Ambient temperature;

Reference yield:

1-hydroxy-pyrrolidine-2,5-dione (6066-82-6) + 5-azido-2-nitrobenzoic acid (60117-34-2) → N-5-Azido-2-nitrobenzoyloxysuccinimide (60117-35-3)

Guidance literature:

With dicyclohexyl-carbodiimide; In tetrahydrofuran; at 0 ℃;

DOI:10.1055/s-2006-950374

Downstream raw materials:

geranyl 5-azido-2-nitrobenzoate

N-5-Azido-2-nitrobenzoyloxysuccinimide

N-(5-azido-2-nitrobenzoyl)-S-tritylglutathione

(2E)-6,7-epoxy-3,7-dimethyl-2-octen-1-yl 5-azido-2-nitrobenzoate