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Your Location：Home>Product Center >> Pharmaceutical intermediates >> (R)-4-Benzyl-2-oxazolidinone
  • (R)-4-Benzyl-2-oxazolidinone
Name:(R)-4-Benzyl-2-oxazolidinone
CAS No:102029-44-7

PRODUCT DESCRIPTION

【Name】
(R)-4-Benzyl-2-oxazolidinone
【Iupac name】
(4R)-4-benzyl-1,3-oxazolidin-2-one
【CAS Registry number】
102029-44-7
【Synonyms】
(4R)-4-benzyloxazolidin-2-one
R-(-)-4-Benzyl-2-oxazolidinone
(R)-4-benzyl-2-oxazolidenone
(R)-4-benzyl-2-oxazolidone
R-4-Bhenyl-2-Oxazolidinone
(4R)-4-Benzyl-1,3-oxazolidin-2-one
(R)-(+)-4-Benzyl-2-oxazolidinone
(R)-4-Benzyl-oxazolidin-2-one
R-4-benzyl-2-oxazolidinone
(R)-4-Benzyloxazolidin-2-one
【Molecular Formula】
C10H11NO2 (Products with the same molecular formula)
【Molecular Weight】
177.2
【Inchi】
InChI=1/C10H11NO2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)/t9-/m1/s1
【Canonical SMILES】
C1C(NC(=O)O1)CC2=CC=CC=C2
【Isomers smiles】
C1[C@H](NC(=O)O1)CC2=CC=CC=C2
【MOL File】
102029-44-7.mol

Chemical and Physical Properties

【Appearance】
white to light yellow crystal powder
【Density】
1.176g/cm3
【Melting Point】
87-90℃
【Boiling Point】
398.8°C at 760 mmHg
【Vapour】
1.43E-06mmHg at 25°C
【Refractive Index】
14.5 ° (C=5, MeOH)
【Flash Point】
195°C
【Alpha】
62 o (C=1, CHCL3)
【Storage temp】
0-6°C
【Computed Properties】
Molecular Weight:177.19984 [g/mol]
Molecular Formula:C10H11NO2
XLogP3-AA:1.7
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:2
Tautomer Count:2
Exact Mass:177.078979
MonoIsotopic Mass:177.078979
Topological Polar Surface Area:38.3
Heavy Atom Count:13
Formal Charge:0
Complexity:187
Isotope Atom Count:0
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Ring Count:2
Effective Rotor Count:2.8
Conformer Sampling RMSD:0.6
CID Conformer Count:6

Safety and Handling

【Hazard Codes】
Xi
【Risk Statements】
R36/37/38
【Safety Statements 】
S24/25
【Safety】

Safety Information about (R)-4-Benzyl-2-oxazolidinone (CAS NO.102029-44-7): 
Hazard Codes:?IrritantXi 
Risk Statements: 36/37/38?
R36/37/38:Irritating to eyes, respiratory system and skin. 
Safety Statements: 22-24/25-36-26?
S22: Do not breathe dust.?
S24/25: Avoid contact with skin and eyes.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36: Wear suitable protective clothing. 
WGK Germany: 3
F: 3-10

【Sensitive】
Hygroscopic
【Specification】

General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. 
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam.?
Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Avoid ingestion and inhalation. 
Storage: Store in a cool, dry place. Store in a tightly closed container.

Use and Manufacturing

【Usage】

An oxazolidinone used in chiral auxiliary asymetric synthesis

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