(4S)-4-Benzyl-5,5-dimethyl-1,3-oxazolidin-2-one

Basic Information

View in Editor

CAS Number

168297-85-6

Molecular Formula

C12H15NO2

Molecular Weight

205.26 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

Melting Point

65-68 °C

Boiling Point

385ºC at 760 mmHg

Density

1.085

Flash Point

186.7ºC

Refractive Index

1.519

Specific Rotation

-98 º (c=2 in chloroform)

SMILES

View in Editor

CC1(C(NC(=O)O1)CC2=CC=CC=C2)C

InChI

InChI=1S/C12H15NO2/c1-12(2)10(13-11(14)15-12)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,13,14)/t10-/m0/s1

InChIKey

AEEGFEJKONZGOH-JTQLQIEISA-N

LogP

2.1161000000000003

Topological Polar Surface Area

38.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

244

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Synonyms & References

English

BS-50645
AEEGFEJKONZGOH-JTQLQIEISA-N
(S)-4-Benzyl-5,5-dimethyloxazolidin-2-one
AKOS016842441
168297-85-6
(4S)-4-benzyl-5,5-dimethyl-1,3-oxazolidin-2-one
CS-W015373
DTXSID30448416
A882179
(4S)-5,5-Dimethyl-4-(phenylmethyl)-2-oxaZolidinone
2-Oxazolidinone, 5,5-dimethyl-4-(phenylmethyl)-, (4S)-
E77992
MFCD00674020
(S)-(-)-4-Benzyl-5,5-dimethyl-2-oxazolidinone
SCHEMBL531693
(S)-(-)-4-Benzyl-5,5-dimethyl-2-oxazolidinone, 98%
(S)-(-)-4-BENZYL-5,5-DIMETHYL-2-OXAZOLIDINONE
(S)-(-)-4-BENZYL-5,5-DIMETHYL-2-OXA- ZOLIDINONE
2-Oxazolidinone,5,5-dimethyl-4-(phenylmethyl)-, (S)-
(4S)-4-Benzyl-5,5-dimethyloxazolidin-2-one
4S-Benzyl-5,5-dimethyloxazolidin-2-one
(S)-4-BENZYL-5,5-DIMETHYL-OXAZOLIDIN-2-ONE
(S)-(+)-4-BENZYL-5,5-DIMETHYL-2-OXAZOLIDINONE
2-Oxazolidinone,5,5-dimethyl-4-(phenylmethyl)-,(4S)-(9CI)
(S)-4-Benzyl-5,5-dimethyl-2-oxazolidinone,99%e.e.
(S)-(-)-4-BENZYL-5,5-DIMETHYL-2-OXA- ZOLIDINONE, 98% (99% EE/HPLC)
(4S)-4-benzyl-5,5-dimethyl-oxazolidin-2-one

MDL Number

MFCD00674020

FAQ

What regulatory guidelines apply to (4S)-4-Benzyl-5,5-dimethyl-1,3-oxazolidin-2-one (CAS: 168297-85-6)?

This compound is subject to regulatory requirements under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH in the European Union, and FDA/EPA guidelines for chemical safety and environmental protection. Specific handling, storage, and disposal methods must be adhered to for compliance with these regulations.

Are there alternatives to (4S)-4-Benzyl-5,5-dimethyl-1,3-oxazolidin-2-one (CAS: 168297-85-6) in synthesis?

Several alternatives can be used in synthesis, such as (4R)-4-benzyl-5,5-dimethyl-1,3-oxazolidin-2-one, which is a stereoisomer, or other oxazolidinone derivatives like (2R,4S)-5,5-dimethyl-1-(2-fluorophenyl)-1,3-oxazolidin-2-one. These alternatives offer similar functionality but with different chemical properties.

What is the market or research trend for (4S)-4-Benzyl-5,5-dimethyl-1,3-oxazolidin-2-one (CAS: 168297-85-6)?

The market for this compound is growing due to its applications in pharmaceuticals and agrochemicals. Research trends focus on its use as an intermediate in the synthesis of antibiotics and as a fungicide. The trend indicates increased demand, particularly in developing markets where agricultural chemicals are in high demand.

How should waste containing (4S)-4-Benzyl-5,5-dimethyl-1,3-oxazolidin-2-one (CAS: 168297-85-6) be handled?

Waste containing this compound should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration is a common method, and environmental protection precautions such as minimizing emissions and proper disposal of ash should be followed. Compliance with local environmental regulations is essential for safe handling and disposal.