4-Bromo-2-methoxybenzamide

Base Information

• Chemical Name: 4-Bromo-2-methoxybenzamide
• CAS No.: 812667-44-0
• Molecular Formula: C8H8BrNO2
• Molecular Weight: 230.061
• Hs Code.: 2924299090
• ChEMBL ID: CHEMBL5001889
• DSSTox Substance ID: DTXSID40594034
• Wikidata: Q82488732
• Mol file: 812667-44-0.mol

Synonyms:4-Bromo-2-methoxybenzamide;812667-44-0;Benzamide, 4-bromo-2-methoxy-;SCHEMBL423775;CHEMBL5001889;DTXSID40594034;IVYKCTGCJDBWMQ-UHFFFAOYSA-N;MFCD12913570;AKOS005147316;SB77041;BS-29552;DA-39924;CS-0119841;EN300-61359;E86068;Z964990652

Chemical Property of 4-Bromo-2-methoxybenzamide

Chemical Property:

• Vapor Pressure: 0.000798mmHg at 25°C
• Boiling Point: 305.9°C at 760 mmHg
• Flash Point: 138.8°C
• PSA: 53.31000
• Density: 1.551g/cm³
• LogP: 2.44080
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 228.97384
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

95% ^*data from raw suppliers

4-Bromo-2-methoxybenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)Br)C(=O)N

Technology Process of 4-Bromo-2-methoxybenzamide

There total 4 articles about 4-Bromo-2-methoxybenzamide 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: 68.0%

4-bromo-2-methoxybenzoic acid (72135-36-5) → 4-bromo-2-methoxybenzamide (812667-44-0)

Guidance literature:

With thionyl chloride; ammonia; sodium carbonate; In methanol; at 80 ℃;

DOI:10.1016/j.ejmech.2016.12.023

Reference yield: 30.0%

4-bromo-2-methoxybenzonitrile (330793-38-9) → 4-bromo-2-methoxybenzamide (812667-44-0)

Guidance literature:

With water; potassium hydroxide; In ethanol; at 80 ℃; for 24h;

Reference yield: 20.0%

methyl 4-bromo-2-methoxybenzoate (139102-34-4) → 4-bromo-2-methoxybenzamide (812667-44-0)

Guidance literature:

methyl 4-bromo-2-methoxybenzoate; With ammonia; ammonium chloride; In water; at 20 - 50 ℃;

With hydrogenchloride; In water; at 20 ℃;

upstream raw materials:

4-bromo-2-methoxybenzoyl chloride

methyl 4-bromo-2-methoxybenzoate

4-bromo-2-methoxybenzonitrile

4-bromo-2-methoxybenzoic acid

Downstream raw materials:

4-bromo-2-methoxybenzonitrile

2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

4-bromo-2-hydroxybenzamide

4-bromo-2-methoxybenzamidine hydrochloride