N-(2-Bromo-4-methylphenyl)acetamide

Base Information

• Chemical Name: N-(2-Bromo-4-methylphenyl)acetamide
• CAS No.: 614-83-5
• Molecular Formula: C9H10BrNO
• Molecular Weight: 228.088
• Hs Code.: 2924299090
• European Community (EC) Number: 612-156-2
• NSC Number: 8063
• UNII: 9J7X4GFM5M
• DSSTox Substance ID: DTXSID6060636
• Nikkaji Number: J148.041C
• Wikidata: Q81989148
• Mol file: 614-83-5.mol

Synonyms:614-83-5;N-(2-Bromo-4-methylphenyl)acetamide;2'-Bromo-4'-methylacetanilide;2-Bromo-4-methylacetanilide;Acetamide, N-(2-bromo-4-methylphenyl)-;C9H10BrNO;9J7X4GFM5M;NSC 8063;NSC-8063;N-Acetyl-2-bromo-p-toluidine;NSC8063;2'-Bromo-p-acetotoluidide;UNII-9J7X4GFM5M;4-Acetamido-3-bromotoluene;Cambridge id 5104354;4-Acetamino-3-bromo-toluene;CBDivE_001966;2-bromo-4-methyl acetanilide;SCHEMBL420721;DTXSID6060636;UUDGTWKIIUEVJD-UHFFFAOYSA-;MFCD00017781;AKOS000183098;N-(2-bromo-4-methyl-phenyl)acetamide;2'-Bromo-4'-methylacetanilide, 98%;N-(2-bromo-4-methyl-phenyl)-acetamide;2\'-BROMO-4\'-METHYLACETANILIDE;AS-36549;B0125;CS-0187538;FT-0611461;A848489;AG-668/02843010;SR-01000195226;J-640228;J-800229;SR-01000195226-1;Z26522737

Chemical Property of N-(2-Bromo-4-methylphenyl)acetamide

Chemical Property:

• Vapor Pressure: 4.57E-05mmHg at 25°C
• Melting Point: 118-121 °C(lit. )
• Refractive Index: 1.6
• Boiling Point: 349.9 °C at 760 mmHg
• PKA: 14.20±0.70(Predicted)
• Flash Point: 165.4 °C
• PSA: 29.10000
• Density: 1.471 g/cm³
• LogP: 2.78890
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• 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:

98%,99%, ^*data from raw suppliers

2'-Bromo-4'-methylacetanilide >98.0%(N) ^*data from reagent suppliers

Safty Information:

• Safety Statements: S22:Do not inhale dust.; S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of N-(2-Bromo-4-methylphenyl)acetamide

There total 9 articles about N-(2-Bromo-4-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-p-toluidine (583-68-6) + acetic anhydride (108-24-7) → 2-bromo-4-methylacetanilide (614-83-5)

Guidance literature:

Inert atmosphere;

DOI:10.1016/j.tet.2010.11.015

Reference yield: 100.0%

4-Methylacetanilide (103-89-9) → 2-bromo-4-methylacetanilide (614-83-5)

Guidance literature:

With N-Bromosuccinimide; diphenyldisulfane; In acetonitrile; at 20 ℃; for 2.5h; Reagent/catalyst;

DOI:10.1021/acs.joc.9b00817

Reference yield: 76.0%

C12H14BrNO → 2-bromo-4-methylacetanilide (614-83-5)

Guidance literature:

With tert.-butylhydroperoxide; In water; chlorobenzene; at 80 ℃; for 2h;

DOI:10.1055/s-0036-1588990

upstream raw materials:

acetic acid-(N-bromo-p-toluidide)

4-Methylacetanilide

2-bromo-p-toluidine

acetic anhydride

Downstream raw materials:

2-bromo-1-chloro-4-methylbenzene

2,6-Dibromo-4-methylaniline

2-bromo-4-methyl-6-nitroaniline

3-bromo-4-acetamidobenzoic acid

Refernces

• 1、 Baek, Junghyun,Ban, Jaeyoung,Lim, Minkyung,Rhee, Hakjune,Shabbir, Saira. "Site-Specific Synthesis of Carbazole Derivatives through Aryl Homocoupling and Amination". . p. 917 - 927. Retrieved 2020/03/13.
• 2、 Singh, Harshvardhan,Sen, Chiranjit,Sahoo, Tapan,Ghosh, Subhash Chandra. "A Visible Light-Mediated Regioselective Halogenation of Anilides and Quinolines by Using a Heterogeneous Cu-MnO Catalyst". . p. 4748 - 4753. Retrieved 2018/09/06.