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

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

Uses

Given the lack of specific applications provided in the materials, the following uses are inferred based on the compound's structural features and common applications of similar compounds:
Used in Pharmaceutical Industry:
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-(3,5-difluorophenyl)-4-methyl-2-oxazolidinone could be used as an intermediate in the synthesis of pharmaceuticals for its unique stereochemistry and functional groups, which may contribute to the development of new drugs with specific therapeutic effects.
Used in Chemical Synthesis:
In the chemical synthesis industry, this compound might serve as a building block or a reagent in the creation of more complex molecules, leveraging its trifluoromethyl and difluorophenyl groups for reactions that require such functionalities.
Used in Material Science:
(4S,5R)-5-[3,5-bis(triflu...'s structural attributes might also find applications in material science, potentially contributing to the development of new materials with specific properties, such as improved stability or reactivity under certain conditions.

Upstream product

• 877384-16-2 benzyl (1S,2R)-2-(3,5-bis(trifluoromethyl)phenyl)-2-hydroxy-1-methylethylcarbamate 
• 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 
• 1182350-90-8 [(S)-2-(3,5-bis-trifluoromethyl-phenyl)-2-hydroxy-1-methyl-ethyl]-carbamic acid benzyl ester 
• 328-70-1 3,6-bis(trifluoromethyl)bromobenzene 
• 1182352-08-4 [(R)-2-(3,5-bis-trifluoromethyl-phenyl)-1-methyl-2-oxo-ethyl]-carbamic acid benzyl ester 
• 17352-25-9 3,5-diiodobenzaldehyde 
• 81290-20-2 (trifluoromethyl)trimethylsilane 
• 871917-79-2 benzyl {(1S)-2-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-2-oxoethyl}carbamate 

Downstream Products

• 875446-35-8 (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[2-iodo-5-(trifluoromethyl)benzyl]-4-methyl-1,3-oxazolidin-2-one 
• 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 
• 1061715-65-8 (4S,5R)-5-(3,5-bis(trifluoromethyl)phenyl)-3-((4'-fluoro-5'-(1,1,1,2,3,3,3-d7)-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl)methyl)-4-methyl-1,3-oxazolidin-2-one 
• 1061715-93-2 (4S,5R)-5-(3,5-bis(trifluoromethyl)phenyl)-3-((4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl)d2-methyl)-4-methyl-1,3-oxazolidin-2-one 
• 1185737-50-1 (4S,5R)-5-(3,5-bis-trifluoromethyl-phenyl)-3-(2-bromo-5-trifluoromethyl-benzyl)-4-methyl-oxazolidin-2-one 
• 875446-61-0 (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-bromo-5-chlorobenzyl)-4-methyl-1,3-oxazolidin-2-one 
• 875446-37-0 anacetrapib 
• 944317-25-3 (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[(3-bromo-6-chloropyridin-2-yl)methyl]-4-methyl-1,3-oxazolidin-2-one 
• 1270038-11-3 methyl 3-(3-[2-({(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl}methyl)-6-methoxypyridin-3-yl]-4-methoxyphenyl)propanoate 
• 1353643-33-0 C₃₃H₃₄F₇NO₃ 
• 1353643-35-2 C₃₂H₃₂F₇NO₃S 
• 1353643-36-3 C₃₀H₂₅F₁₀NO₃S 
• 1353643-38-5 C₃₂H₃₁F₈NO₃ 
• 1353643-39-6 C₃₂H₃₂F₇NO₄ 

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.

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