Cas no 97748-56-6 (5-Thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid, 3-methyl-8-oxo-7-[(phenoxyacetyl)amino]-, [2R-(2α,3α,6α,7β)]-)

5-Thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid, 3-methyl-8-oxo-7-[(phenoxyacetyl)amino]-, [2R-(2α,3α,6α,7β)]- structure
97748-56-6 structure
Product Name:5-Thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid, 3-methyl-8-oxo-7-[(phenoxyacetyl)amino]-, [2R-(2α,3α,6α,7β)]-
CAS No:97748-56-6
MF:C16H18N2O5S
MW:350.389523029327
CID:6627763
Update Time:2024-01-15

5-Thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid, 3-methyl-8-oxo-7-[(phenoxyacetyl)amino]-, [2R-(2α,3α,6α,7β)]- Chemical and Physical Properties

Names and Identifiers

    • 5-Thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid, 3-methyl-8-oxo-7-[(phenoxyacetyl)amino]-, [2R-(2α,3α,6α,7β)]-
    • Inchi： 1S/C16H18N2O5S/c1-9-8-24-15-12(14(20)18(15)13(9)16(21)22)17-11(19)7-23-10-5-3-2-4-6-10/h2-6,9,12-13,15H,7-8H2,1H3,(H,17,19)(H,21,22)/t9-,12+,13+,15+/m0/s1
    • InChI Key： LJBDCAZWMWPFQA-XRFFLINXSA-N
    • SMILES： N12[C@@]([H])([C@H](NC(COC3=CC=CC=C3)=O)C1=O)SC[C@H](C)[C@@H]2C(O)=O

Experimental Properties

  • Density: 1.45±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
  • Boiling Point: 700.5±60.0 °C(Predicted)
  • pka: 3.14±0.60(Predicted)

5-Thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid, 3-methyl-8-oxo-7-[(phenoxyacetyl)amino]-, [2R-(2α,3α,6α,7β)]- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Iodine
2.1 Reagents: Trifluoroacetic acid Solvents: Benzene ,  Anisole
3.1 Reagents: L-Ascorbic acid ,  Ethylenediaminetetraacetic acid ,  Ferrous sulfate ,  Oxygen Solvents: Dichloromethane ,  Water
Reference
Biomimetic synthesis of penicillin
Baldwin, Jack E.; et al, Journal of the Chemical Society, 1985, (6), 357-9

Production Method 2

Reaction Conditions
1.1 Reagents: L-Ascorbic acid ,  Ethylenediaminetetraacetic acid ,  Ferrous sulfate ,  Oxygen Solvents: Dichloromethane ,  Water
Reference
Biomimetic synthesis of penicillin
Baldwin, Jack E.; et al, Journal of the Chemical Society, 1985, (6), 357-9

Production Method 3

Reaction Conditions
1.1 Reagents: Trifluoroacetic acid Solvents: Benzene ,  Anisole
2.1 Reagents: L-Ascorbic acid ,  Ethylenediaminetetraacetic acid ,  Ferrous sulfate ,  Oxygen Solvents: Dichloromethane ,  Water
Reference
Biomimetic synthesis of penicillin
Baldwin, Jack E.; et al, Journal of the Chemical Society, 1985, (6), 357-9

5-Thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid, 3-methyl-8-oxo-7-[(phenoxyacetyl)amino]-, [2R-(2α,3α,6α,7β)]- Preparation Products

5-Thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid, 3-methyl-8-oxo-7-[(phenoxyacetyl)amino]-, [2R-(2α,3α,6α,7β)]- Related Literature

97748-56-6 (5-Thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid, 3-methyl-8-oxo-7-[(phenoxyacetyl)amino]-, [2R-(2α,3α,6α,7β)]-) Related Products

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