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(6R,7R)-7-{[(2R)-2-{[(4-Hydroxy-6-methyl-3-pyridinyl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbox ylic acid(CAS: 70797-11-4)

(6R,7R)-7-{[(2R)-2-{[(4-Hydroxy-6-methyl-3-pyridinyl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbox
ylic acid
CAS Number

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Basic Information

Molecular Formula
C25H24N8O7S2
Molecular Weight
612.65 g/mol

Physical Properties

Melting Point
213-215°C

Chemical Identifiers

SMILES
CC1=CC(=O)C(=CN1)C(=O)NC(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O
InChIKey
PWAUCHMQEXVFJR-PMAPCBKXSA-N

Database References

MDL Number
MFCD00864893

FAQ

The compound (6R,7R)-7-{[(2R)-2-{[(4-Hydroxy-6-methyl-3-pyridinyl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is a white or off-white crystalline solid with a high molecular weight. It is moderately soluble in water and organic solvents. Chemically, it is reactive and susceptible to hydrolysis in acidic or basic conditions. It can form stable complexes with various metal ions and is often used as a chelating agent.
(6R,7R)-7-{[(2R)-2-{[(4-Hydroxy-6-methyl-3-pyridinyl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid can be synthesized through multistep reactions involving condensation, cyclization, and esterification. Commonly, it is synthesized using a protecting group strategy to control the reactivity of functional groups. The synthesis typically involves a high yield with good selectivity, but careful control of reaction conditions is necessary to avoid side reactions.
(6R,7R)-7-{[(2R)-2-{[(4-Hydroxy-6-methyl-3-pyridinyl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is primarily used in pharmaceutical industries for its chelating properties. It is also used in the development of sensors and in the synthesis of materials for electronic devices. Due to its unique chemical structure, it has potential applications in polymer chemistry and as a chelating agent in metal complexation studies.
When handling (6R,7R)-7-{[(2R)-2-{[(4-Hydroxy-6-methyl-3-pyridinyl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS: 70797-11-4), it is crucial to use appropriate personal protective equipment (PPE), including gloves, goggles, and lab coat. Work should be performed in a well-ventilated area or fume hood to minimize inhalation. Spills should be cleaned up immediately using appropriate absorbent materials. Refer to the Safety Data Sheet (SDS) for specific handling and disposal procedures.

Safety Notice

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Always follow proper handling procedures

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