(4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one

Basic Information

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CAS Number

875444-08-9

Molecular Formula

C12H9F6NO2

Molecular Weight

313.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Density

1.401

SMILES

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C[C@@H]1NC(=O)O[C@@H]1C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C12H9F6NO2/c1-5-9(21-10(20)19-5)6-2-7(11(13,14)15)4-8(3-6)12(16,17)18/h2-5,9H,1H3,(H,19,20)/t5-,9-/m0/s1

InChIKey

OHIDCVTXTYVGRO-CDUCUWFYSA-N

LogP

3.893600000000001

Topological Polar Surface Area

38.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

386

Safety Information

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GHS Hazard Pictograms

H317

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

Synonyms & References

English

(4S,5R)-5-(3,5-Bis(trifluoromethyl)phenyl)-4-methyloxazolidin-2-one
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
2-Oxazolidinone, 5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-, (4S,5R)-
Anacetrapib intermediate-4
(4S,5R)-5-(3,5-bis(trifluoromethyl)phenyl)-4-methylox
(4S,5R)-5-[3,5-bis(triflu...
(4S,5R)-5-(3,5-Bis-trifluoromethyl-phenyl)-4-methyl-oxazolidin-2-one
C12H9F6NO2
(4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyloxazolidin-2-one
AK145429
OHIDCVTXTYVGRO-CDUCUWFYSA-N
BCP9000112
DS-8
(4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyl-2-oxazolidinone (ACI)
(4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one

MDL Number

MFCD16294904

FAQ

What is (4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one (CAS: 875444-08-9)?

(4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one is a chemical compound with a CAS number of 875444-08-9. It is a white solid with a distinctive structure that includes an oxazolidinone ring and substituents such as trifluoromethyl groups. This compound is used in various applications including pharmaceuticals, research, and industry due to its unique chemical properties.

What are the main uses of (4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one (CAS: 875444-08-9)?

(4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one finds use in pharmaceutical formulations, specifically as a precursor for synthesis of active pharmaceutical ingredients (APIs). It is also utilized in research for developing new chemical entities and in industrial applications for its structural and chemical properties.

Is (4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one (CAS: 875444-08-9) safe?

(4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one (CAS: 875444-08-9) is generally safe when handled under appropriate conditions. However, it is important to follow all recommended safety guidelines, including the use of gloves, goggles, and appropriate laboratory attire. It is flammable and can react with strong acids and bases, so it should be stored away from heat sources and incompatible materials.

How should (4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one (CAS: 875444-08-9) be stored?

(4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent exposure to moisture and air. The storage container should be made of appropriate materials and should be labeled with clear safety information. It is advisable to store it under nitrogen to minimize reaction with atmospheric oxygen or other reactive species.