3-Acetoxymethyl-7-Chloro-3-Cephem-4-Carboxylic acid tert-Butyl ester 1,1-Dioxide
[CAS# 95672-01-8]

Identification

• Name: 3-Acetoxymethyl-7-Chloro-3-Cephem-4-Carboxylic acid tert-Butyl ester 1,1-Dioxide
• Synonyms: Tert-Butyl (6R,7S)-3-(Acetoxymethyl)-7-Chloro-5,5,8-Trioxo-5$L^{6}-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate; (6R,7S)-3-(Acetoxymethyl)-7-Chloro-5,5,8-Trioxo-5$L^{6}-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid Tert-Butyl Ester; (6R,7S)-3-(Acet
• Molecular Formula: C₁₄H₁₈ClNO₇S
• Molecular Weight: 379.81
• CAS Registry Number: 95672-01-8
• SMILES: [C@H]12[S](=O)(=O)CC(=C(N1C(=O)[C@@H]2Cl)C(OC(C)(C)C)=O)COC(=O)C
• InChI: 1S/C14H18ClNO7S/c1-7(17)22-5-8-6-24(20,21)12-9(15)11(18)16(12)10(8)13(19)23-14(2,3)4/h9,12H,5-6H2,1-4H3/t9-,12+/m0/s1
• InChIKey: QVPFKKWKDKAYSA-JOYOIKCWSA-N

Properties

• Density: 1.476g/cm³ (Cal.)
• Boiling point: 603.383°C at 760 mmHg (Cal.)
• Flash point: 318.715°C (Cal.)