N-methyl-2-(trifluoromethyl)benzamide

Base Information

• Chemical Name: N-methyl-2-(trifluoromethyl)benzamide
• CAS No.: 171426-41-8
• Molecular Formula: C9H8F3NO
• Molecular Weight: 203.164
• DSSTox Substance ID: DTXSID60400921
• Wikidata: Q82203993
• Mol file: 171426-41-8.mol

Synonyms:N-methyl-2-(trifluoromethyl)benzamide;171426-41-8;BENZAMIDE, N-METHYL-2-(TRIFLUOROMETHYL)-;SCHEMBL1267035;DTXSID60400921;AKOS008974278;Benzamide, 2-(trifluoromethyl)-N-methyl-

Chemical Property of N-methyl-2-(trifluoromethyl)benzamide

Chemical Property:

• PSA: 32.59000
• LogP: 2.63980
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 203.05579836
• Heavy Atom Count: 14
• Complexity: 215

Purity/Quality:

98%min ^*data from raw suppliers

N-Methyl-2-(trifluoromethyl)benzamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=O)C1=CC=CC=C1C(F)(F)F

Technology Process of N-methyl-2-(trifluoromethyl)benzamide

There total 3 articles about N-methyl-2-(trifluoromethyl)benzamide 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: 53.0%

methylamine hydrochloride (593-51-1) + 2-trifluoromethylbenzoyl chloride (312-94-7) → N-methyl-2-(trifluoromethyl)benzamide (171426-41-8)

Guidance literature:

With triethylamine; In dichloromethane; at 25 ℃; for 0.5h;

DOI:10.1021/acs.orglett.7b02778

Reference yield:

methylamine (74-89-5) + 2-trifluoromethylbenzoyl chloride (312-94-7) → N-methyl-2-(trifluoromethyl)benzamide (171426-41-8)

Guidance literature:

In dichloromethane;

Reference yield:

2-trifluoromethylbenzoic acid (433-97-6) → N-methyl-2-(trifluoromethyl)benzamide (171426-41-8)

Guidance literature:

Multi-step reaction with 2 steps

1: oxalyl dichloride / dichloromethane

2: triethylamine / dichloromethane / 8 h / 0 - 20 °C

With oxalyl dichloride; triethylamine; In dichloromethane;

DOI:10.1002/anie.202005257

upstream raw materials:

methylamine

2-trifluoromethylbenzoyl chloride

methylamine hydrochloride

2-trifluoromethylbenzoic acid

Downstream raw materials:

N'-methoxy-4-(1-methyl-1-{4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}ethoxy)benzenecarboxyimidamide

C₂₀H₁₈F₃N₃O₂

N'-hydroxy-4-(1-methyl-1-{4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}ethoxy)benzenecarboxyimidamide

2-(1-{4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}ethoxy)nicotinamide

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