511256-36-3

Basic information

• Product Name: (S)-N-Methyl-1-[3,5-bis(trifluoromethyl)phenyl]ethylamine
• Synonyms: (S)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-N-METHYLETHANAMINE;(S)-N-METHYL-1-[BIS-3,5-(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE;S-NME-MBT-PEM;(S)-N-Methyl-1-[3,5-bis(trifluoromethyl)phenyl]ethylamine;(1S)-1-[3,5-Bis(trifluoromethyl)phenyl]-N-methylethanamine
• CAS NO: 511256-36-3
• Molecular Formula: C₁₁H₁₁F₆N
• Molecular Weight: 271.2
• Product Categories: API intermediates
• Mol File: 511256-36-3.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 172.879 °C at 760 mmHg
• Flash Point: 58.356 °C
• Appearance: /
• Density: 1.259 g/cm³
• Vapor Pressure: 1.302mmHg at 25°C
• Refractive Index: 1.416
• PKA: 8.93±0.10(Predicted)
• CAS DataBase Reference: (S)-N-Methyl-1-[3,5-bis(trifluoromethyl)phenyl]ethylamine(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-N-Methyl-1-[3,5-bis(trifluoromethyl)phenyl]ethylamine(511256-36-3)
• EPA Substance Registry System: (S)-N-Methyl-1-[3,5-bis(trifluoromethyl)phenyl]ethylamine(511256-36-3)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 511256-36-3(Hazardous Substances Data)

Usage

General Description

(S)-N-Methyl-1-[3,5-bis(trifluoromethyl)phenyl]ethylamine is a chemical compound with the molecular formula C11H12F6N. It is a chiral amine, consisting of a methyl group attached to a nitrogen atom, which is in turn part of a larger alkyl chain. The molecule also contains a phenyl ring with two trifluoromethyl groups attached to it. (S)-N-Methyl-1-[3,5-bis(trifluoromethyl)phenyl]ethylamine is commonly used as an intermediate in the synthesis of pharmaceuticals and other organic compounds. Its chiral nature makes it useful for creating enantiomerically pure substances, which are essential in drug development and other fields of organic chemistry. The trifluoromethyl groups on the phenyl ring also give this compound unique chemical properties, making it valuable in a variety of chemical reactions and processes.

InChI:InChI=1/C11H11F6N/c1-6(18-2)7-3-8(10(12,13)14)5-9(4-7)11(15,16)17/h3-6,18H,1-2H3/t6-/m0/s1

Upstream product

• 1453070-37-5 (R)-N-((S)-1-(3,5-bis(trifluoromethyl)phenyl)ethyl)-N,2-dimethylpropane-2-sulfinamide 
• 1453070-36-4 (R)-N-((S)-1-(3,5-bis(trifluoromethyl)phenyl)ethyl)-2-methylpropane-2-sulfinamide 
• 401-95-6 3,5-Bis(trifluoromethyl)benzaldehyde 
• 1333317-69-3 N-(1-(3,5-bis(trifluoromethyl) phenyl)ethylidene)methanamine 
• 30071-93-3 3,5-bis(trifluoromethyl)phenyl methyl ketone 
• 737786-85-5 1-(3,5-bis(trifluoromethyl)phenyl)ethyl methanesulfonate 
• 74-89-5 methylamine 
• 290297-43-7 3,5-bis(trifluoromethyl)-α-methyl-N-methylbenzylamine 
• 384824-41-3 [(S)-1-(3,5-Bis-trifluoromethyl-phenyl)-ethyl]-((S)-1-phenyl-ethyl)-amine 
• 672906-98-8 [1-(3,5-Bis-trifluoromethyl-phenyl)-eth-(E)-ylidene]-((S)-1-phenyl-ethyl)-amine 
• 511256-31-8 [(S)-1-(3,5-Bis-trifluoromethyl-phenyl)-ethyl]-methyl-((S)-1-phenyl-ethyl)-amine 

Downstream Products

• 870860-62-1 (1R,2R)-3-benzyl-2-phenyl-3-aza-bicyclo[3.1.0]hexane-1-carboxylic acid [(S)-1-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-methyl-amide 
• 870860-63-2 C₃₀H₂₈F₆N₂O 
• 870860-83-6 [(S)-1-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-methyl-carbamic acid (1R,2S)-2-phenyl-3-aza-bicyclo[3.1.0]hex-1-yl ester 
• 870861-37-3 ((1S,2R,5R)-3-{[1-((S)-3,5-Bis-trifluoromethyl-phenyl)-ethyl]-methyl-carbamoyl}-2-phenyl-3-aza-bicyclo[3.1.0]hex-1-yl)-methyl-carbamic acid tert-butyl ester 
• 870861-36-2 ((1R,2S,5S)-3-{[1-((S)-3,5-bis-trifluoromethyl-phenyl)-ethyl]-methyl-carbamoyl}-2-phenyl-3-aza-bicyclo[3.1.0]hex-1-yl)-methyl-carbamic acid tert-butyl ester 
• 870860-57-4 (1S,2S)-1-hydroxy-2-phenyl-3-aza-bicyclo[3.1.0]hexane-3-carboxylic acid [(S)-1-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-methyl-amide 
• 870860-58-5 (1R,2S)-1-hydroxy-2-phenyl-3-aza-bicyclo[3.1.0]hexane-3-carboxylic acid [(S)-1-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-methyl-amide 
• 334477-19-9 2-(S)-(4-fluoro-2-methylphenyl)-3-oxopiperazine-1-carboxylic acid [1-(R)-(3,5-bis-trifluoromethylphenyl)ethyl]methylamide 
• 1453070-38-6 (1S,8aS)-7,7-diallyl-N-((S)-1-(3,5-bis(trifluoromethyl)phenyl)ethyl)-N-methyl-6-oxo-1-o-tolylhexahydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide 
• 1192874-52-4 (2S)-N,N-diethyl-2-(4-fluoro-2-methylphenyl)-1-piperazinecarboxamide 
• 1192874-50-2 N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-N',N'-diethyl-N-methylurea 
• 1192874-51-3 N,N'-bis{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-N,N'-dimethylurea 
• 1192874-46-6 1,1-dimethylethyl (3S)-4-{[{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}(methyl)amino]carbonyl}-3-(4-fluoro-2-methylphenyl)-1-piperazinecarboxylate 
• 1192874-48-8 bis(1,1-dimethylethyl) (3S,3'S)-4,4'-(oxomethanediyl)bis[3-(4-fluoro-2-methylphenyl)-1-piperazinecarboxylate] 

Relevant articles and documents

NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS

The present invention relates to a compound according to formula (A) wherein n is 1 or 2; R1 and R2 are independently hydrogen, C1-4 alkyl, C1-4 haloalkyl, C1-4 alkoxy, CD3 or halogen; R3 is hydrogen, C(=O)OR7 or C1-4 alkyl optionally substituted with hyd

CATALYST COMPOSITIONS AND THEIR USE IN THE DE-ENRICHMENT OF ENANTIOMERICALLY ENRICHED SUBSTRATES

There is provided a process for the de-enrichment of enantiomerically enriched compositions which comprises reacting an enantiomerically enriched composition comprising at least a first enantiomer or diastereomer of a substrate comprising a carbon-heteroatom bond, wherein the carbon is a chiral centre and the heteroatom is a group V heteroatom, in the presence of a catalyst system and optionally a reaction promoter to give a product composition comprising first and second enantiomers or diastereomers of the substrate having a carbon-heteroatom bond, the ratio of second to first enantiomer or disatereomer in the product composition being greater than the ratio of second to first enantiomer or disatereomer in the enantiomerically enriched composition. Preferred catalyst systems include transition metal halide complex of the formula MnXpYr wherein M is a transition metal; X is a halide; Y is a neutral optionally substituted hydrocarbyl complexing group, a neutral optionally substituted perhalogenated hydrocarbyl complexing group, or an optionally substituted cyclopentadienyl complexing group; and n, p and r are integers. The reaction promoter is preferably a halide salt.

NK1 ANTAGONIST

The invention is to a compound exhibiting neurokinin inhibitory properties, a pharmaceutical composition comprising same and a method of treatment for neurokinin-meditated conditions.Formula (I)