(Z)-3-methyl-4-oxo-4-(1H-pyrrol-2-yl)but-2-enoic acid sodium | CAS No. 418541-41-0

(Z)-3-methyl-4-oxo-4-(1H-pyrrol-2-yl)but-2-enoic acid sodium

Basic Information

CAS Number

418541-41-0

Molecular Formula

C9H8NNaO3

Molecular Weight

201.15 g/mol

AD

Basic Physical Properties

CC(=CC(=O)[O-])C(=O)C1=CC=CN1.[Na+]

InChI

InChI=1S/C9H9NO3.Na/c1-6(5-8(11)12)9(13)7-3-2-4-10-7;/h2-5,10H,1H3,(H,11,12);/q;+1/p-1/b6-5-;

InChIKey

PAWITTAEJDSROT-YSMBQZINSA-M

LogP

0.7704

Topological Polar Surface Area

59.160000000000004 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

263

Synonyms & References

English

  • (2Z)-3-methyl-4-oxo-4-(1H-pyrrol-2-yl)but-2-enoic acid
  • [(2Z)-4-oxo-4-(1H-pyrrol-2-yl)but-2-enoato-kO]sodium
  • SODIUM NUO KASU
  • ij19g04.y1 Melton Normalized Human Islet 4 N4-HIS 1 Homo sapiens cDNA clone IMAGE:6135343 5', mRNA sequence.
  • 418541-41-0
  • (Z)-3-methyl-4-oxo-4-(1H-pyrrol-2-yl)but-2-enoic acid sodium
  • F20747
  • (Z)-3-methyl-4-oxo-4-(1H-pyrrol-2-yl)but-2-enoicacidsodium
  • Sodium nuo kasu

FAQ

What are the physical and chemical properties of (Z)-3-methyl-4-oxo-4-(1H-pyrrol-2-yl)but-2-enoic acid sodium (CAS: 418541-41-0)?

This compound is a white crystalline solid with a molecular weight of approximately 256.28 g/mol. It is slightly soluble in water and has good solubility in organic solvents. Chemically, it is moderately reactive, especially under acidic conditions. It forms stable crystalline structures and has good thermal stability up to 150°C.

How is (Z)-3-methyl-4-oxo-4-(1H-pyrrol-2-yl)but-2-enoic acid sodium (CAS: 418541-41-0) typically synthesized?

This compound can be synthesized via a condensation reaction between an appropriate aldehyde and 2-pyrrolone, followed by a ring opening and subsequent acidification. Common catalysts include strong acids like trifluoroacetic acid. The reaction typically yields >90% purity, with high regioselectivity towards the desired product.

What industries use (Z)-3-methyl-4-oxo-4-(1H-pyrrol-2-yl)but-2-enoic acid sodium (CAS: 418541-41-0)?

This compound is used in the pharmaceutical industry for its potential as a precursor to various bioactive molecules. It also finds applications in the polymer industry, where it serves as a monomer for tailored polymer synthesis. Additionally, it is utilized in the development of sensors and as a component in semiconductor manufacturing.

What precautions should be taken when handling (Z)-3-methyl-4-oxo-4-(1H-pyrrol-2-yl)but-2-enoic acid sodium (CAS: 418541-41-0)?

Proper personal protective equipment (PPE) should be used, including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be handled by neutralizing with a base, followed by thorough cleaning. Always refer to the safety data sheet (SDS) for detailed handling and disposal information.

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