Benzoyl azide

Base Information

• Chemical Name: Benzoyl azide
• CAS No.: 582-61-6
• Molecular Formula: C7H5N3O
• Molecular Weight: 147.136
• European Community (EC) Number: 689-464-9
• DSSTox Substance ID: DTXSID00206944
• Nikkaji Number: J7.438A
• Wikidata: Q83080842
• Mol file: 582-61-6.mol

Synonyms:BENZOYL AZIDE;582-61-6;Benzoic acid azide;Benzoyl azide [Forbidden];Benzazide;azido-phenyl-methanone;SCHEMBL13449660;DTXSID00206944;AHA101337;AKOS009454274;EN300-1263219

Chemical Property of Benzoyl azide

Chemical Property:

• Melting Point: 32°C
• Refractive Index: 1.5500 (estimate)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 66.82000
• Density: g/cm³
• LogP: 1.58986
• Storage Temp.: ?20°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 147.043261791
• Heavy Atom Count: 11
• Complexity: 190

Purity/Quality:

98%,99%, ^*data from raw suppliers

BENZOYL AZIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,T
• Statements: 11-38-48/23/24/25
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzoyl azide

There total 40 articles about Benzoyl azide 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: 100.0%

benzoic acid (65-85-0,8013-63-6) → benzoyl azide (582-61-6)

Guidance literature:

With 2-azido-1,3-dimethylimidazol-3-ium chloride; triethylamine; In tetrahydrofuran; at 0 ℃; for 0.5h;

DOI:10.1246/cl.2010.732

Reference yield: 92.0%

benzoic acid hydrazide (613-94-5) → benzoyl azide (582-61-6)

Guidance literature:

With bromine; triphenylphosphine; In acetonitrile; at 0 ℃;

DOI:10.1016/j.tetlet.2008.04.154

Reference yield: 92.0%

2,2-dibromoacetophenone (13665-04-8) → benzoyl azide (582-61-6)

Guidance literature:

With sodium azide; In water; acetone; Ambient temperature;

DOI:10.1055/s-1983-30274

upstream raw materials:

benzoyl chloride

benzenediazonium sulphate

benzoic acid hydrazide

benzoic acid methyl ester

Downstream raw materials:

N-phenylphthalimide

1-benzoyl-4-phenylsemicarbazide

N⁴-phenyl acetic acid semicarbazide

3-(benzoyloxy)benzoic acid