4,5,6-Trihydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid | CAS No. 99-23-0

4,5,6-Trihydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid

Basic Information

CAS Number

99-23-0

Molecular Formula

C8H6O6

Molecular Weight

198.13 g/mol

AD

Basic Physical Properties

Melting Point

316-318°

C1=C(C=C(C(=C(C1=O)O)O)O)C(=O)O

InChI

InChI=1S/C8H6O6/c9-4-1-3(8(13)14)2-5(10)7(12)6(4)11/h1-2H,(H,13,14)(H3,9,10,11,12)

InChIKey

RRDGXYZZWSIADF-UHFFFAOYSA-N

LogP

-0.1382000000000001

Topological Polar Surface Area

115.06000000000002 Ų

Hydrogen Bond Donor/Acceptor

4 / 6

Complexity

398

Synonyms & References

English

  • Puberulic acid
  • SCHEMBL524294
  • 456JC9FRVK
  • CHEMBL3588897
  • UNII-456JC9FRVK
  • Q27258814
  • 3,4,6-Trihydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxylic acid #
  • DTXSID70879321
  • PUBERULIC ACID [MI]
  • 1,3,6-Cycloheptatriene-1-carboxylic acid, 3,4,6-trihydroxy-5-oxo-
  • Puberlic acid
  • SCHEMBL21100911
  • 99-23-0
  • 3,4,6-Trihydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxylic acid
  • 1,3,6-Cycloheptatriene-1-carboxylicacid, 3,4,6-trihydroxy-5-oxo-
  • 4,5,6-trihydroxy-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid
  • PUBERULICACID

FAQ

What are the physical and chemical properties of 4,5,6-Trihydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid (CAS: 99-23-0)?

4,5,6-Trihydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid is a crystalline solid with a molecular weight of approximately 218.16 g/mol. It has a low solubility in water but is more soluble in organic solvents. The compound is known for its reactivity, particularly towards nucleophiles and reducing agents.

How is 4,5,6-Trihydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid (CAS: 99-23-0) typically synthesized?

4,5,6-Trihydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid is synthesized through multi-step reactions involving the condensation of appropriate precursors, followed by an oxidation step. Common methods include the use of concentrated acids or peroxides as catalysts, with yields typically ranging from 70% to 85%.

What industries use 4,5,6-Trihydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid (CAS: 99-23-0)?

4,5,6-Trihydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid is primarily used in the pharmaceutical industry for drug synthesis and in the polymer industry for the development of new materials. It has also found applications in sensors and as a precursor in semiconductor manufacturing.

What precautions should be taken when handling 4,5,6-Trihydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid (CAS: 99-23-0)?

When handling 4,5,6-Trihydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. It should be handled in a fume hood to minimize exposure. In case of a spill, immediate cleanup should be performed using appropriate absorbent materials, and the area should be ventilated. Always refer to the Safety Data Sheet (SDS) for detailed instructions.

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