Cas no 2499962-36-4 ((4S,5R)-3-Benzoyl-2-(1-methylethyl)-4-phenyl-5-oxazolidinecarboxylic acid)

(4S,5R)-3-Benzoyl-2-(1-methylethyl)-4-phenyl-5-oxazolidinecarboxylic acid structure
2499962-36-4 structure
Product Name:(4S,5R)-3-Benzoyl-2-(1-methylethyl)-4-phenyl-5-oxazolidinecarboxylic acid
CAS No:2499962-36-4
MF:C20H21NO4
MW:339.38504576683
CID:5687544
Update Time:2024-02-02

(4S,5R)-3-Benzoyl-2-(1-methylethyl)-4-phenyl-5-oxazolidinecarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • (4S,5R)-3-Benzoyl-2-(1-methylethyl)-4-phenyl-5-oxazolidinecarboxylic acid
    • Inchi: 1S/C20H21NO4/c1-13(2)19-21(18(22)15-11-7-4-8-12-15)16(17(25-19)20(23)24)14-9-5-3-6-10-14/h3-13,16-17,19H,1-2H3,(H,23,24)/t16-,17+,19?/m0/s1
    • InChI Key: AZDLSPPEJHOUJN-PZEDNMLSSA-N
    • SMILES: O1[C@@H](C(O)=O)[C@H](C2=CC=CC=C2)N(C(=O)C2=CC=CC=C2)C1C(C)C

Experimental Properties

  • Density: 1.227±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
  • Boiling Point: 545.1±50.0 °C(Predicted)
  • pka: 2.94±0.60(Predicted)

(4S,5R)-3-Benzoyl-2-(1-methylethyl)-4-phenyl-5-oxazolidinecarboxylic acid Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Pyridinium p-toluenesulfonate Solvents: Toluene ;  6 h, reflux
1.2 Reagents: Sodium hydroxide Solvents: Methanol ,  Tetrahydrofuran ,  Water ;  25 °C; 3 h, 25 °C
1.3 Reagents: Hydrochloric acid Solvents: Water ;  pH 1, 25 °C
Reference
Preparation of (4S,5R)-3-benzoyl-2-(4-methoxyphenyl)-4-phenyl-5-oxazoline carboxylic acid derivatives
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(4S,5R)-3-Benzoyl-2-(1-methylethyl)-4-phenyl-5-oxazolidinecarboxylic acid Raw materials

(4S,5R)-3-Benzoyl-2-(1-methylethyl)-4-phenyl-5-oxazolidinecarboxylic acid Preparation Products

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