4-Methyl-3-(trifluoromethyl)benzamide

Base Information

• Chemical Name: 4-Methyl-3-(trifluoromethyl)benzamide
• CAS No.: 261952-00-5
• Molecular Formula: C9H8F3NO
• Molecular Weight: 203.16
• Hs Code.: 2924297099
• DSSTox Substance ID: DTXSID201286433
• Mol file: 261952-00-5.mol

Synonyms:4-methyl-3-(trifluoromethyl)benzamide;261952-00-5;SCHEMBL2706728;IELCRNVRCVJVGU-UHFFFAOYSA-N;DTXSID201286433;MFCD01631499;AKOS015955984;PS-8163;SB77028;CS-0205984

Chemical Property of 4-Methyl-3-(trifluoromethyl)benzamide

Chemical Property:

• Boiling Point: 233.2±40.0 °C(Predicted)
• PKA: 15.52±0.50(Predicted)
• Density: 1.286±0.06 g/cm3(Predicted)
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 203.05579836
• Heavy Atom Count: 14
• Complexity: 227

Purity/Quality:

98% ^*data from raw suppliers

4-Methyl-3-(trifluoromethyl)benzamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C(=O)N)C(F)(F)F

Technology Process of 4-Methyl-3-(trifluoromethyl)benzamide

There total 1 articles about 4-Methyl-3-(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:

4-methyl-3-(trifluoromethyl)benzoic acid (261952-01-6) → 4-methyl-3-(trifluoromethyl)benzamide (261952-00-5)

Guidance literature:

Multi-step reaction with 2 steps

1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 1 h / 0 - 20 °C

2: ammonia / tetrahydrofuran / 1 h / 20 °C

With oxalyl dichloride; ammonia; N,N-dimethyl-formamide; In tetrahydrofuran; dichloromethane;

Reference yield:

4-methyl-3-(trifluoromethyl)benzamide (261952-00-5) → 1-[4-methyl-3-(trifluoromethyl)phenyl]methanamine hydrochloride

Guidance literature:

4-methyl-3-(trifluoromethyl)benzamide; With borane-THF; In tetrahydrofuran; at 0 - 55 ℃; for 1h;

With hydrogenchloride; In water; pH=3;

upstream raw materials:

4-methyl-3-(trifluoromethyl)benzoic acid

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