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(6R,7R)-7-({[(Difluoromethyl)sulfanyl]acetyl}amino)-3-({[1-(2-hydroxyethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(CAS: 99665-00-6)

(6R,7R)-7-({[(Difluoromethyl)sulfanyl]acetyl}amino)-3-({[1-(2-hydroxyethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Number

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Basic Information

Molecular Formula
C15H18F2N6O7S2
Molecular Weight
496.47 g/mol

Physical Properties

Melting Point
82.5-87.5°

Chemical Identifiers

SMILES
COC1(C2N(C1=O)C(=C(CO2)CSC3=NN=NN3CCO)C(=O)O)NC(=O)CSC(F)F
InChIKey
UHRBTBZOWWGKMK-DOMZBBRYSA-N

Database References

MDL Number
MFCD00865115

FAQ

This compound is a crystalline solid with a high molecular weight. It is slightly soluble in water and has a high reactivity due to its carbonyl group and sulfur-containing functionalities. It exhibits good solubility in common organic solvents like DMSO and DMF. Reactivity studies show that it is susceptible to nucleophilic attack and can undergo various chemical transformations. It has a melting point of around 230-235°C.
This compound is typically synthesized via a multi-step process involving the coupling of an amino acid derivative with a tetrazole sulfide. The reaction is carried out in an anhydrous environment with the use of appropriate bases and solvents. The key steps include the formation of an acyl chloride, followed by a nucleophilic substitution reaction. The yield is around 70-80% with good selectivity.
This compound is primarily used in the pharmaceutical industry for its potential as a medicinal agent. It has shown promise in the treatment of various diseases due to its unique chemical structure. It is also of interest in the polymer industry for its functional groups that can be used in the synthesis of smart materials. Additionally, it may have applications in sensors and semiconductors due to its chemical reactivity.
When handling this compound, appropriate Personal Protective Equipment (PPE) should be used, including gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from direct sunlight and heat sources. Spills should be handled carefully using appropriate absorbent materials. This compound may react with water to release hydrogen sulfide, so it should be used in a well-ventilated area or fume hood. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

Safety Notice

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

Always follow proper handling procedures

Contact Information

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