N-(4-bromophenyl)-N-methylacetamide

Base Information

• Chemical Name: N-(4-bromophenyl)-N-methylacetamide
• CAS No.: 50438-47-6
• Molecular Formula: C9H10BrNO
• Molecular Weight: 228.088
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID10401943
• Nikkaji Number: J1.414.679B
• Wikidata: Q82205261
• Mol file: 50438-47-6.mol

Synonyms:N-(4-bromophenyl)-N-methylacetamide;50438-47-6;CHEMBRDG-BB 5304453;N-(4-bromophenyl)-N-methyl-acetamide;SCHEMBL969001;4'-Bromo-N-methylacetoanilide;DTXSID10401943;JDWFXKUASRMYEO-UHFFFAOYSA-N;4'-BROMO-N-METHYLACETANILIDE;MFCD00094195;STL582065;AKOS003617580;BS-38036;CS-0323037;FT-0684106;F87978

Chemical Property of N-(4-bromophenyl)-N-methylacetamide

Chemical Property:

• Vapor Pressure: 0.00124mmHg at 25°C
• Boiling Point: 298.7oC at 760 mmHg
• Flash Point: 134.5oC
• PSA: 20.31000
• Density: 1.45g/cm3
• LogP: 2.43180
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 226.99458
• Heavy Atom Count: 12
• Complexity: 164

Purity/Quality:

98%min ^*data from raw suppliers

N-(4-Bromophenyl)-N-methylacetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of N-(4-bromophenyl)-N-methylacetamide

There total 11 articles about N-(4-bromophenyl)-N-methylacetamide 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: 99.0%

N-acetyl-N-methylaniline (579-10-2) → N-(4-bromo-phenyl)-N-methylacetamide (50438-47-6)

Guidance literature:

With hexabromocyclopenta-1,3-diene; In acetonitrile; Heating;

DOI:10.1039/c39820000778

Reference yield: 90.0%

4-bromoacetanilide (103-88-8) + methyl iodide (74-88-4) → N-(4-bromo-phenyl)-N-methylacetamide (50438-47-6)

Guidance literature:

4-bromoacetanilide; With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

methyl iodide; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

Reference yield: 89.0%

4-bromo-N,N-dimethylaniline (586-77-6) + acetic anhydride (108-24-7) → N-(4-bromo-phenyl)-N-methylacetamide (50438-47-6)

Guidance literature:

With tert.-butylhydroperoxide; water; In acetonitrile; at 70 ℃; for 0.5h;

DOI:10.1002/cctc.201801858

upstream raw materials:

N-acetyl-N-methylaniline

acetic anhydride

4-bromo-N-nitroso-N-methylaniline

4-bromoacetanilide

Downstream raw materials:

4-bromo-N-methylaniline

4-bromo-N-methyl-N-ethylaniline

N-(4-((diphenylmethylene)amino)phenyl)-N-methylacetamide

4-(N-methylacetamido)aniline

Refernces

• 1、 Moglie, Yanina,Buxaderas, Eduardo,Mancini, Agustina,Alonso, Francisco,Radivoy, Gabriel. "Amide Bond Formation Catalyzed by Recyclable Copper Nanoparticles Supported on Zeolite Y under Mild Conditions". . p. 1487 - 1494. Retrieved 2019/02/16.
• 2、 Huang, Binbin,Zhao, Yating,Yang, Chao,Gao, Yuan,Xia, Wujiong. "Combining Eosin y with Selectfluor: A Regioselective Brominating System for Para-Bromination of Aniline Derivatives". supporting information. p. 3799 - 3802. Retrieved 2017/07/26.