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(6R,7R)-7-((R)-2-Amino-2-(4-hydroxyphenyl)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate(CAS: 66592-87-8)

(6R,7R)-7-((R)-2-Amino-2-(4-hydroxyphenyl)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate
CAS Number

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Basic Information

Molecular Formula
C16H19N3O6S
Molecular Weight
381.41 g/mol

Physical Properties

Melting Point
197 ºC
Boiling Point
789.9°C at 760 mmHg
Flash Point
431.5°C

Chemical Identifiers

SMILES
CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O.O
InChIKey
NBFNMSULHIODTC-CYJZLJNKSA-N

Database References

MDL Number
MFCD01682047

FAQ

The compound is a hygroscopic, crystalline solid with a molecular weight of approximately 540.62 g/mol. It has a solubility of 0.1 g/L in water and is moderately reactive with bases and acids. The compound is stable under normal conditions but may hydrolyze when exposed to moisture or acidic conditions.
The compound is synthesized via multi-step processes, including amide coupling, alkylation, and reduction steps. Key reagents include 4-hydroxybenzaldehyde, 2-amino-2-(4-hydroxyphenyl)acetic acid, and sodium borohydride. The overall yield is moderate, around 50-60%, and the reaction conditions require precise control to achieve high purity.
This compound has applications in the pharmaceutical industry due to its biological activity, particularly in pain management and inflammation. It is also used in the sensor sector for detecting specific chemical substances and in the semiconductor industry for its use in manufacturing processes.
Proper personal protective equipment (PPE) including gloves, goggles, and a lab coat is necessary. The compound should be handled in a laboratory with adequate ventilation. Spills should be immediately cleaned up using appropriate absorbents, and the area should be thoroughly decontaminated. Always refer to the Safety Data Sheet (SDS) for detailed handling 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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