(S)-4-Benzhydryloxazolidin-2-one

Base Information

• Chemical Name: (S)-4-Benzhydryloxazolidin-2-one
• CAS No.: 312624-01-4
• Molecular Formula: C₁₆H₁₅NO₂
• Molecular Weight: 253.301
• European Community (EC) Number: 621-778-3
• Nikkaji Number: J1.795.722H
• Mol file: 312624-01-4.mol

Synonyms:(S)-4-Benzhydryloxazolidin-2-one;312624-01-4;(4S)-4-benzhydryl-1,3-oxazolidin-2-one;SCHEMBL5182311;AKOS015909755;(S)-(-)-4-(Diphenylmethyl)-2-oxazolidinone, 97%

Chemical Property of (S)-4-Benzhydryloxazolidin-2-one

Chemical Property:

• Vapor Pressure: 4.22E-09mmHg at 25°C
• Melting Point: 144-147 °C(lit.)
• Refractive Index: 1.591
• Boiling Point: 472.6 °C at 760 mmHg
• Flash Point: 239.6 °C
• PSA: 41.82000
• Density: 1.181 g/cm³
• LogP: 2.56690
• Storage Temp.: 2-8°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 253.110278721
• Heavy Atom Count: 19
• Complexity: 288

Purity/Quality:

97% ^*data from raw suppliers

(S)-4-Benzhydryloxazolidin-2-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(NC(=O)O1)C(C2=CC=CC=C2)C3=CC=CC=C3
• Isomeric SMILES: C1[C@@H](NC(=O)O1)C(C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of (S)-4-Benzhydryloxazolidin-2-one

There total 6 articles about (S)-4-Benzhydryloxazolidin-2-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 79.0%

(R)-2-Hydroxymethyl-3,3-diphenyl-propionic acid (204851-65-0) → (4R)-4-(diphenylmethyl)-2-oxazolidinone (173604-33-6,312624-01-4)

Guidance literature:

With diphenyl phosphoryl azide; triethylamine; In toluene; at 80 ℃; for 8h;

DOI:10.1021/jo9720804

Reference yield: 79.0%

(S)-4-(hydroxydiphenylmethyl)oxazolidin-2-one (173604-32-5) → (4R)-4-(diphenylmethyl)-2-oxazolidinone (173604-33-6,312624-01-4)

Guidance literature:

With sodium; In ammonia; for 0.25h;

DOI:10.1016/0040-4039(95)01983-O

Reference yield:

4-(diphenylmethyl)-2-oxazolidinone (312624-01-4) → (4R)-4-(diphenylmethyl)-2-oxazolidinone (173604-33-6,312624-01-4) + (S)-(-)-4-diphenylmethyl-2-oxazolidinone (312624-01-4)

Guidance literature:

With trifluoroacetic acid; In hexane; isopropyl alcohol; Reagent/catalyst; Resolution of racemate;

DOI:10.1002/chir.22766

upstream raw materials:

(S)-4-(hydroxydiphenylmethyl)oxazolidin-2-one

(S)-2-tert-butyl-dimethyl-silanyloxy propanal

4-((R)-4-Benzhydryl-2-oxo-oxazolidin-3-yl)-4-oxo-butyric acid methyl ester

(2R)-2-(tert-butyldimethylsilyloxy)propanal

Downstream raw materials:

(R)-4-Benzhydryl-3-(7-methyl-octanoyl)-oxazolidin-2-one

(R)-4-Benzhydryl-3-hexanoyl-oxazolidin-2-one

(R)-4-Benzhydryl-3-octadecanoyl-oxazolidin-2-one

(R)-4-Benzhydryl-3-hexadecanoyl-oxazolidin-2-one