4-Bromo-N,N-diethyl-3-methylbenzamide

Base Information

• Chemical Name: 4-Bromo-N,N-diethyl-3-methylbenzamide
• CAS No.: 52010-29-4
• Molecular Formula: C12H16BrNO
• Molecular Weight: 270.169
• DSSTox Substance ID: DTXSID10596888
• Nikkaji Number: J1.346.993H
• Wikidata: Q82492280
• Mol file: 52010-29-4.mol

Synonyms:4-Bromo-N,N-diethyl-3-methylbenzamide;52010-29-4;SCHEMBL9299563;DTXSID10596888;F70289

Chemical Property of 4-Bromo-N,N-diethyl-3-methylbenzamide

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 269.04153
• Heavy Atom Count: 15
• Complexity: 216

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Bromo-N,N-diethyl-3-methylbenzamide

There total 4 articles about 4-Bromo-N,N-diethyl-3-methylbenzamide 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-3-methylbenzoic acid (7697-28-1) + diethylamine (109-89-7) → N,N-diethyl 3-methyl-4-bromobenzamide (52010-29-4)

Guidance literature:

With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; In acetonitrile; at 0 - 20 ℃;

DOI:10.1021/jm900773n

Reference yield:

4-bromo-3-methylbenzoic acid (7697-28-1) → N,N-diethyl 3-methyl-4-bromobenzamide (52010-29-4)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂

With thionyl chloride; 1: Substitution / 2: Acylation;

DOI:10.1139/v00-055

Reference yield:

4-bromo-3-methylbenzoyl chloride (21900-25-4) + diethylamine (109-89-7) → N,N-diethyl 3-methyl-4-bromobenzamide (52010-29-4)

Guidance literature:

DOI:10.1139/v00-055

upstream raw materials:

4-bromo-3-methylbenzoyl chloride

diethylamine

4-bromo-3-methylbenzoic acid

Downstream raw materials:

C₃₀H₃₈N₂O₄