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(2S)-2-[(3S,4S)-3-Carboxy-5,6,7-trihydroxy-1-oxo-3,4-dihydro-1H-isochromen-4-yl]succinic acid | CAS No. 23725-05-5

(2S)-2-[(3S,4S)-3-Carboxy-5,6,7-trihydroxy-1-oxo-3,4-dihydro-1H-isochromen-4-yl]succinic acid

Basic Information

Chemical_Structure_Of
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CAS Number

23725-05-5

Molecular Formula

C14H12O11

Molecular Weight

356.24 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Esters
Basic Chemical Raw Materials Organic Chemicals Ethers
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Dyes and Pigments Organic Dyes
Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Solubility

Methanol; Water

SMILES

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C1=C2C(=C(C(=C1O)O)O)C(C(OC2=O)C(=O)O)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C14H12O11/c15-5-1-4-7(10(19)9(5)18)8(3(12(20)21)2-6(16)17)11(13(22)23)25-14(4)24/h1,3,8,11,15,18-19H,2H2,(H,16,17)(H,20,21)(H,22,23)/t3-,8-,11-/m0/s1

InChIKey

COZMWVAACFYLBI-XJEVXTIOSA-N

LogP

-0.3138999999999999

Topological Polar Surface Area

198.89 Ų

Hydrogen Bond Donor/Acceptor

6 / 11

Complexity

587

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

  • (2S)-2-[(3S,4S)-3-carboxy-5,6,7-trihydroxy-1-oxo-isochroman-4-yl]butanedioic acid
  • CS-0032300
  • Q5089008
  • (2S)-[(3S,4S)-3-CARBOXY-3,4-DIHYDRO-5,6,7-TRIHYDROXY-1-OXO-1H-2-BENZOPYRAN-4-YL]BUTANEDIOIC ACID
  • AKOS040760120
  • BUTANEDIOIC ACID, ((3S,4S)-3-CARBOXY-3,4-DIHYDRO-5,6,7-TRIHYDROXY-1-OXO-1H-2-BENZOPYRAN-4-YL)-, (2S)-
  • 4-ISOCHROMANSUCCINIC ACID, 3-CARBOXY-5,6,7-TRIHYDROXY-1-OXO-
  • BUTANEDIOIC ACID, (3-CARBOXY-3,4-DIHYDRO-5,6,7-TRIHYDROXY-1-OXO-1H-2-BENZOPYRAN-4-YL)-, (3S-(3.ALPHA.,4.BETA.(R*)))-
  • 23725-05-5
  • MS-25570
  • YAA72505
  • CHEMBL4129076
  • Chebulic acid
  • (S)-2-((3S,4S)-3-Carboxy-5,6,7-trihydroxy-1-oxoisochroman-4-yl)succinic acid
  • HY-N4170
  • (2S)-2-[(3S)-3,4-Dihydro-3alpha-carboxy-5,6,7-trihydroxy-1-oxo-1H-2-benzopyran-4beta-yl]butanedioic acid
  • (2S)-2-[(3S,4S)-3-carboxy-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromen-4-yl]butanedioic acid
  • Butanedioic acid,[(3S,4S)-3-carboxy-3,4-dihydro-5,6,7-trihydroxy-1-oxo-1H-2-benzopyran-4-yl]-,(2S)-
  • Butanedioic acid,[(3S,4S)-3-carboxy-3,4-dihydro-5,6,7-trihydroxy-1-oxo-1H-2-benzopyran-4-yl]-,...
  • CHEBULIC ACID(SH)
  • (-)-Chebulic acid
  • 4-Isochromansuccinicacid, 3-carboxy-5,6,7-trihydroxy-1-oxo- (8CI)
  • Butanedioic acid,(3-carboxy-3,4-dihydro-5,6,7-trihydroxy-1-oxo-1H-2-benzopyran-4-yl)-, [3S-[3a,4b(R*)]]-
  • Chebulic acid (6CI,7CI)
  • (2S)-[(3S,4S)-3-Carboxy-3,4-dihydro-5,6,7-trihydroxy-1-oxo-1H-2-benzopyran-4-yl]butanedioic acid
  • Split acid
  • 2-[(3S,4S)-3-Carboxy-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromen-4-yl]butanedioic acid
  • 2-[(3S,4S)-3-Carboxy-5,6,7-trihydroxy-1-oxo-3,4-dih

MDL Number

MFCD09264641

FAQ

What are the physical and chemical properties of (2S)-2-[(3S,4S)-3-Carboxy-5,6,7-trihydroxy-1-oxo-3,4-dihydro-1H-isochromen-4-yl]succinic acid (CAS: 23725-05-5)?
(2S)-2-[(3S,4S)-3-Carboxy-5,6,7-trihydroxy-1-oxo-3,4-dihydro-1H-isochromen-4-yl]succinic acid, or CAS 23725-05-5, is a crystalline solid with a molecular weight of approximately 408.3 g/mol. It has a pKa of 4.2 and is soluble in water and organic solvents. It exhibits high reactivity with nucleophiles and electrophiles, and it is often used in derivatization reactions.

How is (2S)-2-[(3S,4S)-3-Carboxy-5,6,7-trihydroxy-1-oxo-3,4-dihydro-1H-isochromen-4-yl]succinic acid (CAS: 23725-05-5) typically synthesized?
(2S)-2-[(3S,4S)-3-Carboxy-5,6,7-trihydroxy-1-oxo-3,4-dihydro-1H-isochromen-4-yl]succinic acid can be synthesized through a multi-step process involving condensation reactions, ring closures, and acid derivatization. Commonly used catalysts include Lewis acids and transition metal complexes. The yield and selectivity can be significantly improved by optimizing reaction conditions and using highly pure starting materials.

What industries use (2S)-2-[(3S,4S)-3-Carboxy-5,6,7-trihydroxy-1-oxo-3,4-dihydro-1H-isochromen-4-yl]succinic acid (CAS: 23725-05-5)?
(2S)-2-[(3S,4S)-3-Carboxy-5,6,7-trihydroxy-1-oxo-3,4-dihydro-1H-isochromen-4-yl]succinic acid finds applications in the pharmaceutical industry for medicinal chemistry and drug development, as well as in the polymer industry for the synthesis of special polymers. It is also used in the semiconductor industry for creating functional materials and in the sensor industry for the development of new sensor technologies.

What precautions should be taken when handling (2S)-2-[(3S,4S)-3-Carboxy-5,6,7-trihydroxy-1-oxo-3,4-dihydro-1H-isochromen-4-yl]succinic acid (CAS: 23725-05-5)?
When handling (2S)-2-[(3S,4S)-3-Carboxy-5,6,7-trihydroxy-1-oxo-3,4-dihydro-1H-isochromen-4-yl]succinic acid, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood to avoid inhalation. Spills should be cleaned up carefully using appropriate absorbent materials, and the area should be thoroughly washed with water. Always refer to a safety data sheet (SDS) for detailed handling and emergency procedures.

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