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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)

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 Number

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Basic Information

Molecular Formula
C20H18N6Na2O9S
Molecular Weight
564.4 g/mol

Physical Properties

Melting Point
Not available
Boiling Point
Not available
Density
Not available
Flash Point
Not available

Chemical Identifiers

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

Database References

MDL Number
MFCD03427565

FAQ

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 a crystalline compound with a molecular weight of approximately 700 g/mol. It has moderate solubility in water and organic solvents. The compound is reactive, particularly towards nucleophiles and bases. It exhibits good stability under neutral conditions but can be sensitive to acidic or strongly basic environments.
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%.
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 primarily used in the pharmaceutical industry for medicinal chemistry and drug development. It is also relevant in the sensor industry for its reactivity and specificity in detecting certain chemical species. Potential applications include drug delivery systems and as a key intermediate in the synthesis of other complex organic compounds.
When handling 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, it is essential to use personal protective equipment (PPE) such as gloves, safety glasses, and lab coats. Work should be conducted in a well-ventilated area or under a fume hood to minimize exposure. Proper spill procedures should be followed, and the substance should be stored in a cool, dry place away from direct sunlight and heat sources. Always consult the Safety Data Sheet (SDS) for detailed handling and storage instructions.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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