(2R,4S)-3-Benzoyl-4-ethoxylcarbonylmethyl-4-methyl-5-oxazolidinone

Base Information

• Chemical Name: (2R,4S)-3-Benzoyl-4-ethoxylcarbonylmethyl-4-methyl-5-oxazolidinone
• CAS No.: 113806-36-3
• Molecular Formula: C21H21 N O5
• Molecular Weight: 367.4
• NSC Number: 621516
• DSSTox Substance ID: DTXSID30474937
• Wikidata: Q82305117
• Mol file: 113806-36-3.mol

Synonyms:113806-36-3;(2R,4S)-3-Benzoyl-4-ethoxylcarbonylmethyl-4-methyl-5-oxazolidinone;ethyl 2-[(2R,4S)-3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl]acetate;Ethyl 2-((2R,4S)-3-benzoyl-4-methyl-5-oxo-2-phenyloxazolidin-4-yl)acetate;4-Oxazolidineacetic acid, 3-benzoyl-4-methyl-5-oxo-2-phenyl-, ethyl ester, (2R,4S)-;NSC621516;DTXSID30474937;PZJIKKSTYYIFPV-CTNGQTDRSA-N;NSC-621516

Chemical Property of (2R,4S)-3-Benzoyl-4-ethoxylcarbonylmethyl-4-methyl-5-oxazolidinone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.566
• Boiling Point: 556.429°C at 760 mmHg
• PKA: -3.69±0.60(Predicted)
• Flash Point: 290.318°C
• PSA: 72.91000
• Density: 1.221g/cm³
• LogP: 3.03420
• Solubility.: Chloroform, Dichloromethane, Ethyl Acetate, Methanol
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 367.14197277
• Heavy Atom Count: 27
• Complexity: 565

Purity/Quality:

97% ^*data from raw suppliers

(2R,4S)-3-Benzoyl-4-ethoxylcarbonylmethyl-4-methyl-5-oxazolidinone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1(C(=O)OC(N1C(=O)C2=CC=CC=C2)C3=CC=CC=C3)C
• Isomeric SMILES: CCOC(=O)C[C@]1(C(=O)O[C@@H](N1C(=O)C2=CC=CC=C2)C3=CC=CC=C3)C