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2-(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-sulfopropanoic acid(CAS: 1357477-99-6)

2-(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-sulfopropanoic acid
CAS Number

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Basic Information

Molecular Formula
C13H14N2O6S
Molecular Weight
326.33 g/mol

Chemical Identifiers

SMILES
CC1=NN(C(=O)C1C(C)(C(=O)O)S(=O)(=O)O)c2ccccc2
InChIKey
QPTXNUZKOOCRLD-UHFFFAOYSA-N

Database References

MDL Number
MFCD26940243

FAQ

2-(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-sulfopropanoic acid is a solid crystalline compound with a molecular weight of approximately 296.34 g/mol. It has a low solubility in water but higher solubility in organic solvents. The compound is reactive towards nucleophiles and can undergo substitution reactions. It is stable under normal conditions but should be stored in a dry environment to prevent hydrolysis.
This compound can be synthesized via a multi-step process involving the condensation of a 3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole derivative with a sulfonate ester. The reaction typically uses a Lewis acid catalyst and proceeds with good selectivity and moderate to high yield. The exact method may vary based on the starting materials and conditions.
2-(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-sulfopropanoic acid is primarily used in the pharmaceutical industry for the development of new drugs. It also has potential applications in the synthesis of polymers and as a reagent in analytical chemistry for its unique chemical properties.
When handling 2-(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-sulfopropanoic acid, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Store the compound in a fume hood and avoid inhalation. In case of a spill, neutralize any acids or bases present, then clean up the area with appropriate safety protocols. Refer to the Safety Data Sheet (SDS) for detailed information on handling and emergency procedures.

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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