N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine

Base Information

• Chemical Name: N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
• CAS No.: 296276-41-0
• Molecular Formula: C9H10F3N
• Molecular Weight: 189.17800
• Hs Code.: 29214990
• European Community (EC) Number: 845-064-8
• DSSTox Substance ID: DTXSID60366417
• Wikidata: Q82151623
• Mol file: 296276-41-0.mol

Synonyms:296276-41-0;N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;N-Methyl-1-(2-(trifluoromethyl)phenyl)methanamine;N-methyl-N-[2-(trifluoromethyl)benzyl]amine;METHYL-(2-TRIFLUOROMETHYL-BENZYL)-AMINE;N-Methyl-2-trifluoromethylbenzylamine;methyl({[2-(trifluoromethyl)phenyl]methyl})amine;Enamine_002448;Benzenemethanamine, N-methyl-2-(trifluoromethyl)-;SCHEMBL514804;SCHEMBL514805;DTXSID60366417;GKOKBYDWCYRBGB-UHFFFAOYSA-N;HMS1400P06;MFCD02689994;AKOS000131252;N-methyl-2-(trifluoromethyl)benzylamine;NCGC00374045-01;TS-02669;CS-0215719;EN300-28978;C78124;Z57965854

Chemical Property of N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine

Chemical Property:

• Vapor Pressure: 1.09mmHg at 25°C
• Boiling Point: 176.4oC at 760 mmHg
• PKA: 9.23±0.10(Predicted)
• Flash Point: 60.5oC
• PSA: 12.03000
• Density: 1.149g/cm3
• LogP: 2.81570
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 189.07653381
• Heavy Atom Count: 13
• Complexity: 155

Purity/Quality:

98% ^*data from raw suppliers

N-Methyl-1-[2-(trifluoromethyl)phenyl]methanamine ^*data from reagent suppliers

Safty Information:

• Statements: 22-34-52/53
• Safety Statements: 26-36/37/39-45-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCC1=CC=CC=C1C(F)(F)F

Technology Process of N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine

There total 5 articles about N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine 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: 66.0%

(2-trifluoromethylbenzyl)carbamic acid tert-butyl ester → N-methyl-1-(2-(trifluoromethyl)phenyl)methanamine (296276-41-0)

Guidance literature:

(2-trifluoromethylbenzyl)carbamic acid tert-butyl ester; With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 70 ℃; for 16h;

With water; sodium hydroxide; In tetrahydrofuran; at 0 - 20 ℃; for 0.333333h;

Reference yield:

N-(2-(trifluoromethyl)benzyl)formamide (127842-59-5) → N-methyl-1-(2-(trifluoromethyl)phenyl)methanamine (296276-41-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 9h; Heating;

Reference yield:

2-Trifluoromethylbenzaldehyde (447-61-0) → N-methyl-1-(2-(trifluoromethyl)phenyl)methanamine (296276-41-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 81 percent / 4 h / 160 - 180 °C

2: LiAlH₄ / tetrahydrofuran / 9 h / Heating

With lithium aluminium tetrahydride; In tetrahydrofuran;

upstream raw materials:

N-(2-(trifluoromethyl)benzyl)formamide

2-Trifluoromethylbenzaldehyde

o-trifluoromethylbenzylamine

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