Compound Q&A

How is disodium;(6R,7R)-7-[[2-carboxylato-2-(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 64953-12-4) typically synthesized?

Answer

disodium;(6R,7R)-7-[[2-carboxylato-2-(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Disodium;(6R,7R)-7-[[2-carboxylato-2-(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate is synthesized through multi-step organic reactions, involving coupling, condensation, and esterification. Commonly, a Wittig reaction followed by a tetrazole formation and an amide coupling are used. The reaction conditions include the use of triphenylphosphine and N,N-dimethylformamide as solvents, with temperatures ranging from room temperature to reflux. Yield and selectivity are around 70-80%.

About

CAS No 64953-12-4
English Name disodium;(6R,7R)-7-[[2-carboxylato-2-(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular Formula C20H18N6Na2O9S
Molecular Weight 564.4 g/mol
SMILES CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)C(C4=CC=C(C=C4)O)C(=O)[O-])OC)OC2)C(=O)[O-].[Na+].[Na+]
InChIKey GRIXGZQULWMCLU-HUTAOCTPSA-L
Last Updated: 2025-09-08 00:42

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