2-(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-sulfopropanoic acid | CAS No. 1357477-99-6

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

Basic Information

CAS Number

1357477-99-6

Molecular Formula

C13H14N2O6S

Molecular Weight

326.33 g/mol

AD

Basic Physical Properties

CC1=NN(C(=O)C1C(C)(C(=O)O)S(=O)(=O)O)c2ccccc2

InChI

InChI=1S/C13H14N2O6S/c1-8-10(13(2,12(17)18)22(19,20)21)11(16)15(14-8)9-6-4-3-5-7-9/h3-7,10H,1-2H3,(H,17,18)(H,19,20,21)

InChIKey

QPTXNUZKOOCRLD-UHFFFAOYSA-N

LogP

0.7563999999999999

Topological Polar Surface Area

124.33999999999999 Ų

Hydrogen Bond Donor/Acceptor

2 / 8

Synonyms & References

English

  • 2-(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-sulfopropanoic acid
  • 4-(1-Sulfo-1-carboxylethyl) Edaravone
  • 4-(1-Sulfo-1-carboxylethyl) Edaravone Discontinued
  • 2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-sulfopropanoic acid

MDL Number

MFCD26940243

Customs Code

2933199090

FAQ

What are the physical and chemical properties of 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 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.

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

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.

What industries use 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 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.

What precautions should be taken when handling 2-(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-sulfopropanoic acid (CAS: 1357477-99-6)?

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.

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