875444-08-9

Basic information

• Product Name: (4S,5R)-5-[3,5-bis(triflu...
• Synonyms: (4S,5R)-5-[3,5-bis(triflu...;(4S,5R)-5-[3,5-bis(trifluoroMethyl)phenyl]-4-Methyl-1,3-oxazolidin-2-one;(4R,5S)-5-(3,5-bis(trifluoroMethyl)phenyl)-4-Methyloxazolidin-2-one;2-Oxazolidinone, 5-[3,5-bis(trifluoroMethyl)phenyl]-4-Methyl-, (4R,5S)-;(4S,5R)-5-(3,5-bis(trifluoroMethyl)phenyl)-4-Methyloxazolidin-2-one;2-Oxazolidinone, 5-[3,5-bis(trifluoroMethyl)phenyl]-4-Methyl-, (4S,5R)-;(4S,5R)-5-[3,5-Bis(trifluoroMethyl)phenyl]-4-Methyl-;Anacetrapib Intermediate II
• CAS NO: 875444-08-9
• Molecular Formula: C₁₂H₉F₆NO₂
• Molecular Weight: 313.1957792
• Product Categories: Anacetrapib;MK 0859
• Mol File: 875444-08-9.mol
• Article Data: 16

Chemical Properties

• Boiling Point: 329.5±42.0 °C(Predicted)
• Appearance: /
• Density: 1.401
• Storage Temp.: 2-8°C
• PKA: 12.09±0.60(Predicted)
• CAS DataBase Reference: (4S,5R)-5-[3,5-bis(triflu...(CAS DataBase Reference)
• NIST Chemistry Reference: (4S,5R)-5-[3,5-bis(triflu...(875444-08-9)
• EPA Substance Registry System: (4S,5R)-5-[3,5-bis(triflu...(875444-08-9)

Safety Data

• Hazardous Substances Data: 875444-08-9(Hazardous Substances Data)

Usage

General Description

"(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-(3,5-difluorophenyl)-4-methyl-2-oxazolidinone" is a chemical compound characterized by a specific stereochemistry, denoted by the (4S, 5R) prefix. It includes functional groups such as trifluoromethyl and difluorophenyl, and it comprises a heterocyclic 2-oxazolidinone ring. These features suggest its potential utility in various chemical reactions. Its specific molecular structure, including the types and arrangement of atoms, influences its chemical properties and potential applications, which could be in various industrial and pharmaceutical processes. However, without specific information or research context, it's difficult to provide detailed insights about this chemical compound.

Upstream product

• 1182352-08-4 [(R)-2-(3,5-bis-trifluoromethyl-phenyl)-1-methyl-2-oxo-ethyl]-carbamic acid benzyl ester 
• 328-70-1 3,6-bis(trifluoromethyl)bromobenzene 
• 17352-25-9 3,5-diiodobenzaldehyde 
• 81290-20-2 (trifluoromethyl)trimethylsilane 
• 1182350-90-8 [(S)-2-(3,5-bis-trifluoromethyl-phenyl)-2-hydroxy-1-methyl-ethyl]-carbamic acid benzyl ester 
• 1402799-12-5 (1S,2S)-2-amino-1-(3,5-bis(trifluoromethyl)phenyl)propane-ol 
• 1402799-13-6 (1S,2R)-2-amino-1-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol 
• 1152029-16-7 (1R,2S)-2-amino-1-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol 
• 1402799-11-4 (1R,2R)-2-amino-1-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol 
• 32315-10-9 bis(trichloromethyl) carbonate 
• 871917-79-2 benzyl {(1S)-2-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-2-oxoethyl}carbamate 
• 877384-16-2 benzyl (1S,2R)-2-(3,5-bis(trifluoromethyl)phenyl)-2-hydroxy-1-methylethylcarbamate 

Downstream Products

• 943915-95-5 methyl 2''-({(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl}methyl)-4'-chloro-2-methyl-4''-(trifluoromethyl)-1,1':3',1''-terphenyl-4-carboxylate 
• 1185737-50-1 (4S,5R)-5-(3,5-bis-trifluoromethyl-phenyl)-3-(2-bromo-5-trifluoromethyl-benzyl)-4-methyl-oxazolidin-2-one 
• 875446-35-8 (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[2-iodo-5-(trifluoromethyl)benzyl]-4-methyl-1,3-oxazolidin-2-one 

Relevant articles and documents

Synthesis and crystal structure of (4S,5R)-5-[3,5-BIS(trifluoromethyl) phenyl]-4-methyl-1,3-oxazolidin-2-one

The crystal structure of the (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4- methyl-1,3-oxazolidin-2-one has been determined by single crystal X-ray diffraction method. The compound crystallizes in the monoclinic system, space group P2(1) with a = 11.867(4) ?, b = 5.6968(19) ?, c = 20.258(7) ?, α = 90.00°, β = 91.866(4)°, γ = 90.00°, Z = 4, V = 1368.8(8) ?3, Dx = 1.520 Mg/m3, F (000) = 632, μ(MoKα) = 0.157 mm-1, R = 0.0562 and wR = 0.1744 for 3675 reflections with I > 2σ(I). X-Ray analysis reveals that the benzene and oxazolidin rings are non-coplanar. The oxazolidin ring displays a twist conformation. The two molecules interact with each other by two strong N-H···O hydrogen bonds. Herein, we report the synthesis and crystal structure of (4S,5R)-5-[3,5- bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one.

Crystal form of oxazolidinone intermediate of Ana Qubo and preparation method thereof

The invention relates to Ana Qubo, and particularly relates to a crystal form of an oxazolidinone intermediate of Ana Qubo and a preparation method thereof. An angle of reflection 2theta of an X-ray powder diffraction pattern of the crystal form of the ox

Method for preparing arene beta-amino alcohol of optical voidness

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