4-nitrobenzyl [2S-(2alpha,5alpha,6beta)]-3,3-dimethyl-7-oxo-6-(phenoxyacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide

Modify Date: 2024-01-30 16:17:42

4-nitrobenzyl [2S-(2alpha,5alpha,6beta)]-3,3-dimethyl-7-oxo-6-(phenoxyacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide Structure
4-nitrobenzyl [2S-(2alpha,5alpha,6beta)]-3,3-dimethyl-7-oxo-6-(phenoxyacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide structure
Common Name 4-nitrobenzyl [2S-(2alpha,5alpha,6beta)]-3,3-dimethyl-7-oxo-6-(phenoxyacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide
CAS Number 29707-62-8 Molecular Weight 501.50900
Density 1.51g/cm3 Boiling Point 828.4ºC at 760mmHg
Molecular Formula C23H23N3O8S Melting Point N/A
MSDS N/A Flash Point 454.8ºC

 Names

Name (4-nitrophenyl)methyl 3,3-dimethyl-4,7-dioxo-6-[(2-phenoxyacetyl)amino]-4λ4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.51g/cm3
Boiling Point 828.4ºC at 760mmHg
Molecular Formula C23H23N3O8S
Molecular Weight 501.50900
Flash Point 454.8ºC
Exact Mass 501.12100
PSA 170.53000
LogP 3.44670
Vapour Pressure 1.36E-27mmHg at 25°C
Index of Refraction 1.673

 Synthetic Route

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4-nitrobenzyl [2S-(2alpha,5alpha,6beta)]-3,3-dimethyl-7-oxo-6-(phenoxyacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide Structure

4-nitrobenzyl [...

CAS#:29707-62-8

Literature: Eli Lilly and Company Patent: US4052387 A1, 1977 ;

 Synonyms

p-nitrobenzyl 6-phenoxyacetamido-2,2-dimethylpenam-1-oxide-3-carboxylate
Penicillin V sulfoxid-p-nitrophenylester
V-Penicillin-sulfoxyd-4-Nitrobenzyl-Ester