(4S)-4-tert-Butyl-5,5-diphenyl-1,3-oxazolidin-2-one

Base Information

• Chemical Name: (4S)-4-tert-Butyl-5,5-diphenyl-1,3-oxazolidin-2-one
• CAS No.: 191090-36-5
• Molecular Formula: C₁₉H₂₁NO₂
• Molecular Weight: 295.381
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50584264
• Wikidata: Q82475895
• Mol file: 191090-36-5.mol

Synonyms:191090-36-5;(4S)-4-tert-Butyl-5,5-diphenyl-1,3-oxazolidin-2-one;(S)-(-)-5,5-Diphenyl-4-(tert-butyl)-2-oxazolidinone;(S)-4-(-)-(tert-Butyl)-5,5-diphenyl-2-oxazolidinone;DTXSID50584264;AKOS015911360;(2-Aminomethylbenzyl)carbamicacidtert-butylester;2-Oxazolidinone,4-(1,1-dimethylethyl)-5,5-diphenyl-,(4S)-

Chemical Property of (4S)-4-tert-Butyl-5,5-diphenyl-1,3-oxazolidin-2-one

Chemical Property:

• Vapor Pressure: 2.64E-09mmHg at 25°C
• Melting Point: 302-305 ºC(lit.)
• Boiling Point: 478.2 ºCat 760 mmHg
• Flash Point: 243ºC
• PSA: 38.33000
• Density: 1.113 g/cm³
• LogP: 4.41350
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 295.157228913
• Heavy Atom Count: 22
• Complexity: 382

Purity/Quality:

99% ^*data from raw suppliers

(S)-(-)-5,5-DIPHENYL-4-(TERT-BUTYL)-2-OXAZOLIDINONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1C(OC(=O)N1)(C2=CC=CC=C2)C3=CC=CC=C3
• Isomeric SMILES: CC(C)(C)[C@H]1C(OC(=O)N1)(C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of (4S)-4-tert-Butyl-5,5-diphenyl-1,3-oxazolidin-2-one

There total 1 articles about (4S)-4-tert-Butyl-5,5-diphenyl-1,3-oxazolidin-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:

chloroformic acid ethyl ester (541-41-3) + (R)-2-amino-3,3-dimethyl-1,1-diphenylbutan-1-ol (218800-31-8) → (R)-4-(tert-butyl)-5,5-diphenyloxazolidin-2-one (218800-32-9,191090-36-5)

Guidance literature:

With sodium hydroxide; triethylamine; Yield given; Multistep reaction; 1.)CH₂Cl₂, -25 - 0 deg C; 2.)MeOH, 9 h, reflux;

DOI:10.1002/(SICI)1522-2675(19981111)81:11<2093::AID-HLCA2093>3.0.CO;2-X

upstream raw materials:

chloroformic acid ethyl ester

(R)-2-amino-3,3-dimethyl-1,1-diphenylbutan-1-ol