4-Bromo-2-nitrobenzoyl chloride

Base Information

• Chemical Name: 4-Bromo-2-nitrobenzoyl chloride
• CAS No.: 112734-21-1
• Molecular Formula: C7H3BrClNO3
• Molecular Weight: 264.463
• DSSTox Substance ID: DTXSID00596478
• Wikidata: Q82491741
• Mol file: 112734-21-1.mol

Synonyms:4-bromo-2-nitrobenzoyl chloride;112734-21-1;Benzoyl chloride, 4-bromo-2-nitro-;4-bromo-2-nitro-benzoyl chloride;4-bromo-2-nitrobenzoylchloride;SCHEMBL3911021;DTXSID00596478;NTHPXJQLZIGPLM-UHFFFAOYSA-N;AKOS025128642;BS-14391;DB-218776;C71419

Chemical Property of 4-Bromo-2-nitrobenzoyl chloride

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 262.89848
• Heavy Atom Count: 13
• Complexity: 230

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)[N+](=O)[O-])C(=O)Cl

Technology Process of 4-Bromo-2-nitrobenzoyl chloride

There total 2 articles about 4-Bromo-2-nitrobenzoyl chloride 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:

4-bromo-2-nitrobenzoic acid (99277-71-1) → 4-bromo-2-nitro-benzoyl chloride (112734-21-1)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In toluene; at 80 ℃; for 16h;

DOI:10.1021/jo00123a016

Reference yield:

1-benzyl-4-hydroxypiperidine (4727-72-4) → 1-benzyl-piperidin-4-yl 4-bromo-2-nitro-benzoate + 4-bromo-2-nitro-benzoyl chloride (112734-21-1)

Guidance literature:

With triethylamine; In toluene;

Reference yield: 60.0%

N-(t-butyl)glycine methyl ester (53386-65-5) + 4-bromo-2-nitro-benzoyl chloride (112734-21-1) → Methyl 4-bromo-β-tert-butyl-2-nitrohippurate (171819-63-9)

Guidance literature:

With triethylamine; In tetrahydrofuran; toluene; for 16h; Ambient temperature;

DOI:10.1021/jo00123a016

upstream raw materials:

4-bromo-2-nitrobenzoic acid

1-benzyl-4-hydroxypiperidine

Downstream raw materials:

Methyl 4-bromo-β-tert-butyl-2-nitrohippurate

[(2-Amino-4-bromo-benzoyl)-tert-butyl-amino]-acetic acid methyl ester

N,N-dimethyl-4-bromo-2-nitrobenzamide

4-bromo-2-nitrobenzamide