(4R,5S)-4-Methyl-5-phenyl-1,3-oxazolidin-2-one

Basic Information

View in Editor

CAS Number

77943-39-6

Molecular Formula

C10H11NO2

Molecular Weight

177.2 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

Basic Physical Properties

Melting Point

121-123 °C

Boiling Point

395.8°C at 760 mmHg

Density

1.1607 (rough estimate)

Flash Point

193.2℃

Refractive Index

1.5168 (estimate)

SMILES

View in Editor

CC1C(OC(=O)N1)C2=CC=CC=C2

InChI

InChI=1S/C10H11NO2/c1-7-9(13-10(12)11-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,11,12)/t7-,9-/m1/s1

InChIKey

PPIBJOQGAJBQDF-VXNVDRBHSA-N

LogP

1.856

Topological Polar Surface Area

38.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

199

Synonyms & References

English

CS-11241
(4R,5S)-4-methyl-5-phenyl-oxazolidine-2-one
(4R,5S)-(+)-4-Methyl-5-phenyl-2-oxazolidinone, 99%
(4R,5S)-(+)-4-methyl-5-phenyloxazolidin-2-one
(4R, 5S)-(+)-4-methyl-5-phenyl-2-oxazolidinone
05339K0T1Y
CS-W017369
(4R, 5S)-4-Methyl-5-phenyl-oxazolidin-2-one
2-Oxazolidinone, 4-methyl-5-phenyl-, (4R-cis)-
UNII-05339K0T1Y
(4R,5S)-4-Methyl-5-phenyl-oxazolidin-2-one
(4R,5S)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CHEBI:195097
(4R,5S)-(+)-4-Methyl-5-phenyl-2-oxazolidinone
A839298
4-Methyl-5-phenyl-2-oxazolidinone (4R-cis)-
SCHEMBL4291
(4R,5S)-4-METHYL-5-PHENYLOXAZOLIDINONE
CDA94339
A1-00387
77943-39-6
4-(R)-methyl-5-(S)-phenyl-oxazolidin-2-one
(4R,5S)-4-Methyl-5-phenyloxazolidin-2-one
Meph-2-oxazolidinone
PPIBJOQGAJBQDF-VXNVDRBHSA-N
2-Oxazolidinone, 4-methyl-5-phenyl-, (4R,5S)-
(4r,5s)-(-)-4-methyl-5-phenyl-2-oxazolidinone
AMY30719
(4R,5S)-4-Methyl-5-phenyl-2-oxazolidinone
Q27236062
4-Methyl-5-phenyl-2-oxazolidinone, (4R,5S)-

MDL Number

MFCD00010845

Customs Code

2934999090

FAQ

What are the physical and chemical properties of (4R,5S)-4-Methyl-5-phenyl-1,3-oxazolidin-2-one (CAS: 77943-39-6)?

(4R,5S)-4-Methyl-5-phenyl-1,3-oxazolidin-2-one is a white crystalline solid with a molecular weight of 218.23 g/mol. It has limited water solubility but is soluble in organic solvents like ethanol and chloroform. This compound is known for its moderate reactivity, particularly in nucleophilic substitution reactions.

How is (4R,5S)-4-Methyl-5-phenyl-1,3-oxazolidin-2-one (CAS: 77943-39-6) typically synthesized?

(4R,5S)-4-Methyl-5-phenyl-1,3-oxazolidin-2-one can be synthesized via a multi-step process involving the condensation of phenylalanine or its derivatives with an appropriate aldehyde or ketone. Common catalysts include Pd/C under hydrogenation conditions, yielding a high percentage of the desired enantiomer with good selectivity and yield.

What industries use (4R,5S)-4-Methyl-5-phenyl-1,3-oxazolidin-2-one (CAS: 77943-39-6)?

(4R,5S)-4-Methyl-5-phenyl-1,3-oxazolidin-2-one is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It also finds applications in the polymer industry for enhancing material properties and in the development of sensors and semiconductors.

What precautions should be taken when handling (4R,5S)-4-Methyl-5-phenyl-1,3-oxazolidin-2-one (CAS: 77943-39-6)?

When handling (4R,5S)-4-Methyl-5-phenyl-1,3-oxazolidin-2-one, wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store in a cool, dry place away from direct sunlight and ignition sources. Use a fume hood during preparation and handling to avoid inhalation. Always refer to a Safety Data Sheet (SDS) for detailed safety information and emergency procedures.