(2S,3S)-2,3-Bis(benzoyloxy)succinic acid hydrate (1:1)

Basic Information

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CAS Number

80822-15-7

Molecular Formula

C18H16O9

Molecular Weight

376.32 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

150-153 ºC

Boiling Point

606.6°C at 760 mmHg

Water Solubility

Soluble in methanol. Slightly soluble in water.

Refractive Index

109 ° (C=1, EtOH)

Specific Rotation

109 º (c=2, ethanol)

SMILES

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O=C(O)[C@@H](OC(C1=CC=CC=C1)=O)[C@H](OC(C2=CC=CC=C2)=O)C(O)=O.[H]O[H]

InChI

InChI=1S/C18H14O8.H2O/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12;/h1-10,13-14H,(H,19,20)(H,21,22);1H2/t13-,14-;/m0./s1

InChIKey

DXDIHODZARUBLA-IODNYQNNSA-N

LogP

0.7821

Topological Polar Surface Area

158.70000000000002 Å²

Hydrogen Bond Donor/Acceptor

4 / 9

Safety Information

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GHS Hazard Pictograms

H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

(2S,3S)-2,3-Bis(benzoyloxy)succinic acid hydrate
D-DBTA(H20)
D-(+)DBTA, Dibenzoyl-D-tartaric acid, Monohydrate
DBTA (Di-O,O'-benzoyl-D-(+)tartaric Acid Monohydrate)
(+)-2,3-DIBENZOYL-D-TARTARIC ACID MONOHYDRATE
2,3-di-o-benzoyl-d-tartaric acid hydrate
(2S,3S)-(+)-DIBENZOYL-D-TARTARIC ACID MONOHYDRATE
(+)-Dibenzoyl-D-tartaric Acid Monohydrate
Dibenzoyl-L-tartaric acid
NOVOCHEMY NC-29709
(+)-Dibenzoyl-D-tartaric
(+)-DIBENZOYL-D-TARTARIC ACID H2O
(+)-Dibenzoyl-D-Tartaric Acid Monohydrate EE
D-(+)-DBTA.2H2O
D-DBTA
DIBENZOYL-D-TARARIC ACID MOTOHYDRATE
DIBENZOYL-D-TARTARIC ACID MONOHYDRATE
DIBENZOYL-D-TARTRICACID MONOHYDRATE
D-O,O'-dibenzoyltartaric acid hydrate
O,O'-dibenzoyl-Dg-tartaric acid,monohydrate
O,O'-Dibenzoyl-Dg-weinsaeure,Monohydrat
(+)-O,O'-Dibenzoyl-D-tartaric acid monohydrate

MDL Number

MFCD00150722

Customs Code

2942000000

FAQ

What is (2S,3S)-2,3-Bis(benzoyloxy)succinic acid hydrate (1:1) (CAS: 80822-15-7)?

(2S,3S)-2,3-Bis(benzoyloxy)succinic acid hydrate (1:1) is a chemical compound with the CAS number 80822-15-7. It features a succinic acid backbone with two benzoyloxy groups attached at the 2 and 3 positions, and it contains one water molecule per molecule. The compound is a white solid with high molecular weight, commonly used in organic synthesis due to its functional groups and stability in aqueous solutions.

What are the main uses of (2S,3S)-2,3-Bis(benzoyloxy)succinic acid hydrate (1:1) (CAS: 80822-15-7)?

(2S,3S)-2,3-Bis(benzoyloxy)succinic acid hydrate (1:1) is primarily used in pharmaceuticals as a precursor for drug development, particularly in the synthesis of anti-inflammatory agents. It also serves as an industrial chemical in polymer production and as a research reagent for studying chiral compounds. Its applications are supported by its unique structure and solubility properties, making it relevant in chemical manufacturing and scientific investigations.

Is (2S,3S)-2,3-Bis(benzoyloxy)succinic acid hydrate (1:1) (CAS: 80822-15-7) safe?

(2S,3S)-2,3-Bis(benzoyloxy)succinic acid hydrate (1:1) is generally considered safe when handled properly, but standard safety precautions are recommended. It is not classified as highly toxic, but prolonged skin contact or inhalation may cause irritation. Always refer to the Material Safety Data Sheet (MSDS) for specific guidelines, and ensure use in well-ventilated areas with appropriate protective equipment.

How should (2S,3S)-2,3-Bis(benzoyloxy)succinic acid hydrate (1:1) (CAS: 80822-15-7) be stored?

(2S,3S)-2,3-Bis(benzoyloxy)succinic acid hydrate (1:1) should be stored in a cool, dry place, away from light, in a sealed, airtight container. It is stable under these conditions but may degrade if exposed to moisture or high humidity. Maintain storage at temperatures below 25°C and ensure proper labeling to prevent contamination or accidental use.