2-bromo-N-(4-methylphenyl)propanamide

Base Information

• Chemical Name: 2-bromo-N-(4-methylphenyl)propanamide
• CAS No.: 58532-75-5
• Molecular Formula: C₁₀H₁₂BrNO
• Molecular Weight: 242.115
• DSSTox Substance ID: DTXSID50390948
• Nikkaji Number: J883.617E

Synonyms:2-bromo-N-(4-methylphenyl)propanamide;58532-75-5;2-Bromo-N-(p-tolyl)propanamide;CHEMBRDG-BB 4024597;MFCD00466382;SCHEMBL20150737;DTXSID50390948;STK151121;AKOS000100150;AKOS016340782;N-(4-Methylphenyl)-2-bromopropionamide;BB 0217242;CS-0317608

Chemical Property of 2-bromo-N-(4-methylphenyl)propanamide

Chemical Property:

• Vapor Pressure: 2.6E-05mmHg at 25°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 241.01023
• Heavy Atom Count: 13
• Complexity: 176

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-bromo-N-(4-methylphenyl)propanamide

There total 3 articles about 2-bromo-N-(4-methylphenyl)propanamide 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: 92.0%

p-toluidine (106-49-0,12221-03-3) + 2-Bromopropionic acid (598-72-1,10327-08-9) → 2-bromo-N-p-tolylpropanamide (40781-40-6,58532-75-5)

Guidance literature:

2-Bromopropionic acid; With triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In dichloromethane; at 20 ℃; for 1h;

p-toluidine; In dichloromethane; for 16h;

DOI:10.1021/acs.orglett.1c03887

Reference yield:

p-toluidine (106-49-0,12221-03-3) + α-bromopropionyl bromide (563-76-8) → 2-bromo-N-p-tolylpropanamide (40781-40-6,58532-75-5)

Guidance literature:

With chloroform;

Reference yield:

p-toluidine (106-49-0,12221-03-3) + 2-Bromopropionyl chloride (7148-74-5) → 2-bromo-N-p-tolylpropanamide (40781-40-6,58532-75-5)

Guidance literature:

In dichloromethane; at 20 ℃;

DOI:10.1002/adsc.201701556

upstream raw materials:

p-toluidine

α-bromopropionyl bromide

2-Bromopropionyl chloride

2-Bromopropionic acid

Downstream raw materials:

2,6-dimethyl-4-p-tolyl-1-oxa-4-aza-spiro[4.5]decane-3,7-dione

C₁₆H₁₆BrNO₂

4-bromo-N-(p-tolyl)aniline

2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl)-N-(p-tolyl)propionamide

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