(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]-N-methylethanamine

Base Information

• Chemical Name: (1R)-1-[3,5-Bis(trifluoromethyl)phenyl]-N-methylethanamine
• CAS No.: 334477-60-0
• Molecular Formula: C11H11F6N
• Molecular Weight: 271.205
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID20583289
• Wikidata: Q72488308
• Mol file: 334477-60-0.mol

Synonyms:334477-60-0;(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]-N-methylethanamine;(R)-N-Methyl-1-[3,5-bis(trifluoromethyl)phenyl]ethylamine;(R)-1-(3,5-bis(trifluoromethyl)phenyl)-N-methylethanamine;C11H11F6N;(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]-N-methylethylamine;SCHEMBL2365906;DTXSID20583289;ZHIAARPZLAPMHX-ZCFIWIBFSA-N;[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl](methyl)amine;(R)-1-(3,5-bis(trifluoromethyl)phenyl)-N-methylethan-1-amine;AKOS005762929;CS-0180867;EN300-7370391;{(1r)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}methylamine;(R)-[1-(3,5-Bis-trifluoromethyl-phenyl)-ethyl]-methyl-amine;(R)-1-(3,5-bis(trifluoromethyl)phenyl)-N-methyl ethanamine

Chemical Property of (1R)-1-[3,5-Bis(trifluoromethyl)phenyl]-N-methylethanamine

Chemical Property:

• Vapor Pressure: 1.3mmHg at 25°C
• Refractive Index: 1.415
• Boiling Point: 172.9 °C at 760 mmHg
• PKA: 8.93±0.10(Predicted)
• Flash Point: 58.4 °C
• PSA: 12.03000
• Density: 1.259 g/cm³
• LogP: 4.39550
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 271.07956833
• Heavy Atom Count: 18
• Complexity: 250

Purity/Quality:

98%min ^*data from raw suppliers

(R)-N-Methyl-1-[3,5-bis(trifluoromethyl)phenyl]ethylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)NC
• Isomeric SMILES: C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)NC

Technology Process of (1R)-1-[3,5-Bis(trifluoromethyl)phenyl]-N-methylethanamine

There total 14 articles about (1R)-1-[3,5-Bis(trifluoromethyl)phenyl]-N-methylethanamine 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: 92.0%

C19H19F6N (672907-02-7) → [(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl](methyl)amine (334477-60-0)

Guidance literature:

With hydrogen; 5%-palladium/activated carbon; In methanol; at 60 ℃; for 17.5h; under 3750.38 Torr;

Reference yield: 90.0%

(R)-N-methyl-N-[α-methyl-3,5-bis(trifluoromethyl)benzyl]-2-nitrobenzenesulfonamide → [(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl](methyl)amine (334477-60-0)

Guidance literature:

With lithium hydroxide; 1-dodecylthiol; In dimethyl sulfoxide; at 27 - 31 ℃; for 3h; Product distribution / selectivity;

Reference yield: 70.4%

C19H19F6N (672906-99-9) → [(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl](methyl)amine (334477-60-0)

Guidance literature:

C₁₉H₁₉F₆N; With hydrogen; acetic acid; 5%-palladium/activated carbon; In methanol; at 60 ℃; for 16h; under 3750.38 Torr;

With sodium hydroxide; water; pH=> 12;

upstream raw materials:

C₁₉H₁₉F₆N

1-(3,5-bis(trifluoromethyl)phenyl)ethyl methanesulfonate

methylamine

(R)-3,5-bis(trifluoromethyl)-α-methyl-N-methylbenzylamine L-(-)-malic acid salt

Downstream raw materials:

(2R)-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4-oxo-1-piperidinecarboxamide

(R)-1-(3,5-bis(trifluoromethyl)phenyl)-N-methylethanamine p-toluenesulfonate

cis-RS,RS-2-(4-fluoro-2-methyl-phenyl)-3-hydroxymethyl-piperidine-1-carboxylic acid [1-(R)-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-methyl-amide

(1-(R)-{[1-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-methyl-carbamoyl}-2-(S)-o-tolyl-pyrrolidin-3-(R)-yl)-carbamic acid tert-butyl ester

Refernces

• 1、 -. "CATALYST COMPOUNDS". . . Retrieved 2013/06/27.
• 2、 -. "METHOD FOR PRODUCING OPTICALLY ACTIVE 1-(FLUORO-, TRIFLUOROMETHYL- OR TRIFLUOROMETHOXY-SUBSTITUTED PHENYL)ALKYLAMINE N-MONOALKYL DERIVATIVE". Page/Page column 17. . Retrieved 2009/04/23.