{[3,5-Bis(trifluoromethyl)phenyl]methyl}(methyl)amine

Base Information

• Chemical Name: {[3,5-Bis(trifluoromethyl)phenyl]methyl}(methyl)amine
• CAS No.: 159820-24-3
• Molecular Formula: C10H9F6N
• Molecular Weight: 257.179
• Mol file: 159820-24-3.mol

Synonyms:{[3,5-bis(trifluoromethyl)phenyl]methyl}(methyl)amine;159820-24-3;1-[3,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine;1-(3,5-Bis(trifluoromethyl)phenyl)-N-methylmethanamine;SCHEMBL681508;(3,5-bis(trifluoromethyl)phenyl)-N-methylmethanamine;AKOS020235258;CS-0180970;(3,5-bis-trifluoromethyl-benzyl)-methylamine;(3,5-bis-trifluoromethyl-benzyl)-methyl-amine;EN300-206498;N-(3,5-bistrifluoromethylbenzyl)-N-methylamine;{[3,5-bis(trifluoromethyl)phenyl]methyl}methylamine

Chemical Property of {[3,5-Bis(trifluoromethyl)phenyl]methyl}(methyl)amine

Chemical Property:

• PSA: 12.03000
• LogP: 3.83450
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 257.06391826
• Heavy Atom Count: 17
• Complexity: 224

Purity/Quality:

99% ^*data from raw suppliers

{[3,5-Bis(trifluoromethyl)phenyl]methyl}(methyl)amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

Technology Process of {[3,5-Bis(trifluoromethyl)phenyl]methyl}(methyl)amine

There total 3 articles about {[3,5-Bis(trifluoromethyl)phenyl]methyl}(methyl)amine 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: 84.0%

3,5-bis(trifluoromethyl)benzyl chloride (75462-59-8) + methylamine (74-89-5) → {[3,5-bis(trifluoromethyl)phenyl]methyl}methylamine (159820-24-3)

Guidance literature:

3,5-bis(trifluoromethyl)benzyl chloride; methylamine; In methanol; water; at 50 ℃; for 5.5h;

With sodium hydroxide; In water;

Reference yield:

3,5-Bis(trifluoromethyl)benzaldehyde (401-95-6) + methylamine (74-89-5) → {[3,5-bis(trifluoromethyl)phenyl]methyl}methylamine (159820-24-3)

Guidance literature:

3,5-Bis(trifluoromethyl)benzaldehyde; methylamine; In methanol; at 20 ℃; for 12h;

With sodium tetrahydroborate; at 0 - 20 ℃;

With sodium hydroxide; In water; for 0.5h;

Reference yield:

3,5-Bis-(trifluoromethyl)aniline (328-74-5) + methyl iodide (74-88-4) → {[3,5-bis(trifluoromethyl)phenyl]methyl}methylamine (159820-24-3)

Guidance literature:

3,5-Bis-(trifluoromethyl)aniline; With di-tert-butyl dicarbonate; sodium hydrogencarbonate; In tetrahydrofuran; water; at 20 ℃; for 1h;

With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 20 ℃; for 0.333333h;

methyl iodide; With hydrogenchloride; In 1,4-dioxane; methanol; water; for 4.5h;

DOI:10.1002/anie.201612332

upstream raw materials:

3,5-Bis(trifluoromethyl)benzaldehyde

methylamine

3,5-bis(trifluoromethyl)benzyl chloride

3,5-Bis-(trifluoromethyl)aniline

Downstream raw materials:

N-(3,5-bis-trifluoromethyl-benzyl)-2-chloro-4-iodo-N-methyl-nicotinamide

4-{[(3,5-bis-trifluoromethyl-benzyl)methylcarbamoyl]-methyl}-4-(4-fluorophenyl)-azepine-1-carboxylic acid tert-butyl ester

1-{N-(3,5-bistrifluoromethylbenzyl)-N-methyl}aminocarbonyl-2-(4-fluoro-2-methylphenyl)-4,4-dimethoxypiperidine

1,1-dimethylethyl 4-{2-[{[3,5-bis(trifluoromethyl)phenyl]methyl}(methyl)amino]-2-oxoethyl}-4-(4-fluorophenyl)-1-piperidinecarboxylate

Refernces

• 1、 Guillemyn, Karel,Kleczkowska, Patrycia,Lesniak, Anna,Dyniewicz, Jolanta,Van Der Poorten, Olivier,Van Den Eynde, Isabelle,Keresztes, Attila,Varga, Eva,Lai, Josephine,Porreca, Frank,Chung, Nga N.,Lemieux, Carole,Mika, Joanna,Rojewska, Ewelina,Makuch, Wioletta,Van Duppen, Joost,Przewlocka, Barbara,Vanden Broeck, Jozef,Lipkowski, Andrzej W.,Schiller, Peter W.,Tourwé, Dirk,Ballet, Steven. "Synthesis and biological evaluation of compact, conformationally constrained bifunctional opioid agonist - Neurokinin-1 antagonist peptidomimetics". . p. 64 - 77. Retrieved 2015/02/19.
• 2、 -. "PROCESS FOR THE PREPARATION OF 3,5-BIS (TRIFLUOROMETHYL)-N-METHYLBENZYLAMINE". Page/Page column 6. . Retrieved 2008/06/13.