N-(2-bromo-5-methylphenyl)acetamide

Base Information

• Chemical Name: N-(2-bromo-5-methylphenyl)acetamide
• CAS No.: 126759-48-6
• Molecular Formula: C9H10BrNO
• Molecular Weight: 228.088
• DSSTox Substance ID: DTXSID30368201
• Nikkaji Number: J258.223F
• Wikidata: Q82154579
• Mol file: 126759-48-6.mol

Synonyms:N-(2-bromo-5-methylphenyl)acetamide;126759-48-6;2-Bromo-5-methylacetanilide;Acetamide, N-(2-bromo-5-methylphenyl)-;2'-bromo-5'-methylacetanilide;SCHEMBL4913081;DTXSID30368201;MFCD03152858;AKOS017268927;SB80058;Z56827897

Chemical Property of N-(2-bromo-5-methylphenyl)acetamide

Chemical Property:

• PSA: 32.59000
• LogP: 3.36540
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 226.99458
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

N-(2-Bromo-5-methylphenyl)acetamide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)Br)NC(=O)C

Technology Process of N-(2-bromo-5-methylphenyl)acetamide

There total 12 articles about N-(2-bromo-5-methylphenyl)acetamide 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%

2-bromo-5-methylaniline (53078-85-6) + acetic anhydride (108-24-7) → N-(2-bromo-5-methylphenyl)acetamide (126759-48-6)

Guidance literature:

With dmap; In chloroform; for 2h; Reflux;

DOI:10.1055/s-0039-1690759

Reference yield: 86.0%

3-Methylacetanilide (537-92-8) → N-(2-bromo-5-methylphenyl)acetamide (126759-48-6)

Guidance literature:

With palladium diacetate; copper diacetate; copper(ll) bromide; In dichloromethane; at 90 ℃; for 48h;

DOI:10.1021/ja060232j

Reference yield: 82.0%

2-bromo-5-methylaniline (53078-85-6) + acetyl chloride (75-36-5) → N-(2-bromo-5-methylphenyl)acetamide (126759-48-6)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1002/chem.202103137

upstream raw materials:

2-bromo-5-methylaniline

3-Methylacetanilide

acetyl chloride

4-Bromo-3-nitrotoluene

Downstream raw materials:

2-bromo-5-methylaniline

N-(2-iodo-5-methylphenyl)acetamide

N-(2-bromo-5-methylphenyl)-N-methylacetamide

1-(4-methoxyphenyl)-2,5-dimethyl-1H-benzimidazole