ACETAMIDE, N-PHENYL-N-(alpha,alpha,alpha-TRIFLUORO-m-TOLYL)-

Base Information

• Chemical Name: ACETAMIDE, N-PHENYL-N-(alpha,alpha,alpha-TRIFLUORO-m-TOLYL)-
• CAS No.: 844-04-2
• Molecular Formula: C15H12F3NO
• Molecular Weight: 279.262
• DSSTox Substance ID: DTXSID40233370
• Nikkaji Number: J30.971K
• Wikidata: Q83114866

Synonyms:BRN 2660865;N-Phenyl-N-(m-trifluoromethylphenyl)acetamide;ACETAMIDE, N-PHENYL-N-(alpha,alpha,alpha-TRIFLUORO-m-TOLYL)-;N-Phenyl-N-(alpha,alpha,alpha-trifluoro-m-tolyl)acetamide;844-04-2;N-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide;C15H12F3NO;IFLab1_000128;DTXSID40233370;HMS1412F18;ADAL1212680;IDI1_008347;N-[3-(Trifluoromethyl)phenyl]acetanilide;SR-01000004861;SR-01000004861-1

Chemical Property of ACETAMIDE, N-PHENYL-N-(alpha,alpha,alpha-TRIFLUORO-m-TOLYL)-

Chemical Property:

• Vapor Pressure: 2.21E-07mmHg at 25°C
• Boiling Point: 423.6°Cat760mmHg
• Flash Point: 210°C
• Density: 1.262g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 279.08709849
• Heavy Atom Count: 20
• Complexity: 337

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N(C1=CC=CC=C1)C2=CC=CC(=C2)C(F)(F)F

Technology Process of ACETAMIDE, N-PHENYL-N-(alpha,alpha,alpha-TRIFLUORO-m-TOLYL)-

There total 6 articles about ACETAMIDE, N-PHENYL-N-(alpha,alpha,alpha-TRIFLUORO-m-TOLYL)- 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: 75.0%

3-bromo-1-trifluoromethylbenzene (401-78-5) + Acetanilid (103-84-4) → α,α,α-trifluoro-N-phenyl-m-acetotoluidide (844-04-2)

Guidance literature:

With pyridine; copper(I) bromide; potassium carbonate; at 150 ℃; for 20h;

DOI:10.1248/cpb.43.1281

Reference yield: 53.0%

Acetanilid (103-84-4) + (meta-(trifluoromethyl)phenyl)boronic acid (1423-26-3) → α,α,α-trifluoro-N-phenyl-m-acetotoluidide (844-04-2)

Guidance literature:

With copper diacetate; triethylamine; In dichloromethane; Ambient temperature;

DOI:10.1016/S0040-4039(98)01735-3

Reference yield: 35.0%

o-trifluoromethylphenyl bromide (392-83-6) + Acetanilid (103-84-4) → α,α,α-trifluoro-N-phenyl-m-acetotoluidide (844-04-2) + α,α,α-trifluoro-N-phenyl-o-acetotoluidide (172216-91-0)

Guidance literature:

With pyridine; copper(I) bromide; potassium carbonate; at 150 - 160 ℃; for 55h;

DOI:10.1248/cpb.43.1281

upstream raw materials:

bromobenzene

N-acetyl-3-trifluoromethylbenzenamine

3-bromo-1-trifluoromethylbenzene

Acetanilid

Downstream raw materials:

N-(3-trifluoromethylphenyl)aniline

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