(4S)-4-Benzyl-3-propionyl-1,3-oxazolidin-2-one

Basic Information

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CAS Number

101711-78-8

Molecular Formula

C13H15NO3

Molecular Weight

233.27 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

Basic Physical Properties

Physical State

Powder

Melting Point

44-46 °C

Boiling Point

375.51°C (rough estimate)

Flash Point

193.7 °C

Refractive Index

103 ° (C=1, EtOH)

Specific Rotation

97 º (c=1, EtOH)

SMILES

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CCC(=O)N1C(COC1=O)CC2=CC=CC=C2

InChI

InChI=1S/C13H15NO3/c1-2-12(15)14-11(9-17-13(14)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3/t11-/m0/s1

InChIKey

WHOBYFHKONUTMW-NSHDSACASA-N

LogP

1.9865

Topological Polar Surface Area

46.61 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

297

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

MFCD00269688
A16285
AS-16174
(4S)-4-benzyl-3-propanoyl-1,3-oxazolidin-2-one
(S)-(+)-4-Benzyl-3-propionyl-2-oxazolidinone, 99%
(4S)-3-propionyl-4-benzyloxazolidinone
(4S)-(+)-4-Benzyl-3-propionyl-2-oxazolidinone
AKOS015839019
WHOBYFHKONUTMW-NSHDSACASA-N
(S)-4-Benzyl-3-propionyl-2-oxazolidinone
B2166
(4S)-4-Benzyl-3-propionyl-2-oxazolidinon
(4S)-N-propionyl-4-benzyl-2-oxazolidinone
J-000484
DTXSID50369977
4-(S)-Benzyl-3-propionyl-2-oxazolidinone
CS-W008304
(S)-(+)-4-Benzyl-3-propionyl-2-oxalidinone
BP-12594
(S)-4-BENZYL-3-PROPIONYLOXAZOLIDIN-2-ONE
AM802842
2-Oxazolidinone, 3-(1-oxopropyl)-4-(phenylmethyl)-, (4S)-
101711-78-8
SCHEMBL291952
(S)-(+)-4-Benzyl-3-propionyl-2-oxazolidinone
4-(S)-benzyl-3-propionyl-oxazolidin-2-one
AKOS015889773
AC-23910
(S)-4-Benzyl-3-propionyloxazolidin-2-one
(S)-(+)-4-BENZYL-3-PROPIONYL-2-OXAZOLIDI N-ONE
(4S)-(+)-4-BENZYL-3-PROPIONYL-2-OXAZOLIDINONE

MDL Number

MFCD00269688

Customs Code

2934999090

FAQ

What are the physical and chemical properties of (4S)-4-Benzyl-3-propionyl-1,3-oxazolidin-2-one (CAS: 101711-78-8)?

(4S)-4-Benzyl-3-propionyl-1,3-oxazolidin-2-one is a crystalline compound with a molecular weight of approximately 254.34 g/mol. It has a solubility of about 60 mg/mL in water and is practically insoluble in most organic solvents. It exhibits good stability under normal conditions but is reactive towards nucleophiles and bases, making it useful in organic synthesis and pharmaceutical applications.

How is (4S)-4-Benzyl-3-propionyl-1,3-oxazolidin-2-one (CAS: 101711-78-8) typically synthesized?

(4S)-4-Benzyl-3-propionyl-1,3-oxazolidin-2-one can be synthesized via the condensation of propionyl chloride with 4-benzyl-1,3-oxazolidin-2-one, using a catalytic amount of triethylamine. The reaction is typically carried out under mild conditions, and the yield is usually around 80-90%. This compound is also prepared via the hydrolysis of 4-benzyl-3-propionoyl-1,3-oxazolidin-2-one, which provides a higher yield and better purity.

What industries use (4S)-4-Benzyl-3-propionyl-1,3-oxazolidin-2-one (CAS: 101711-78-8)?

(4S)-4-Benzyl-3-propionyl-1,3-oxazolidin-2-one is widely used in the pharmaceutical industry as a precursor for the synthesis of various drug candidates. It is also utilized in the preparation of polymers, sensors, and materials science applications. Its versatility makes it a valuable compound in organic synthesis and research.

What precautions should be taken when handling (4S)-4-Benzyl-3-propionyl-1,3-oxazolidin-2-one (CAS: 101711-78-8)?

When handling (4S)-4-Benzyl-3-propionyl-1,3-oxazolidin-2-one, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a laboratory coat. The compound should be handled in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate absorbents, and the area should be ventilated. Always consult the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.