(3S)-1,3,4-Trihydroxy-2-butanone

Basic Information

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CAS Number

533-50-6

Molecular Formula

C4H8O4

Molecular Weight

120.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

Boiling Point

144.07°C (rough estimate)

Refractive Index

1.4502 (estimate)

Vapor Pressure

0.0±1.7 mmHg at 25°C

Specific Rotation

D18 +11.4° (c = 2.4 in water)

SMILES

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OC[C@H](O)C(=O)CO

InChI

InChI=1S/C4H8O4/c5-1-3(7)4(8)2-6/h3,5-7H,1-2H2/t3-/m0/s1

InChIKey

UQPHVQVXLPRNCX-VKHMYHEASA-N

LogP

-2.099

Topological Polar Surface Area

77.76 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

80.1

Synonyms & References

English

2-Butanone,1,3,4-trihydroxy-, (3S)-
L-(+)-Erythrulose
L-Erythrulose
2-hydroxy-3-oxopropyl phosphate
calcium L-glycerate dihydrate
Calcium-L-glycerat
D-glyceric acid hemicalcium salt
D-Gylcerinaldehyd-3-phosphat
erythrulose
GLYCERALDEHYDE 3-PHOSPHATE
glyceraldehyde 3-phosphate dianion
L-erythulose
L-glyceraldehyde-3-phosphate
L-glyceric acid hemicalcium salt
L-glycero-2-tetrulose
S-1,3,4-Trihydroxy-2-butanone
(S)-1,3,4-Trihydroxy-2-butanone
L-Glycero-2-tetrulose

MDL Number

MFCD00149299

Customs Code

2914400090

FAQ

What are the physical and chemical properties of (3S)-1,3,4-Trihydroxy-2-butanone (CAS: 533-50-6)?

The compound (3S)-1,3,4-Trihydroxy-2-butanone has a crystalline form and a molecular weight of 154.14 g/mol. It is sparingly soluble in water but miscible with ethanol and acetone. Chemically, it is highly reactive, particularly with reducing agents and nucleophiles. It exhibits reducing properties and can undergo oxidation and esterification reactions.

How is (3S)-1,3,4-Trihydroxy-2-butanone (CAS: 533-50-6) typically synthesized?

(3S)-1,3,4-Trihydroxy-2-butanone can be synthesized via the reduction of 2,3,4-trihydroxybutanone. Commonly, this is achieved using lithium aluminum hydride (LAH) as a reducing agent, followed by acid workup. The reaction yield is typically around 70-80%, with LAH serving as a key catalyst in this process.

What industries use (3S)-1,3,4-Trihydroxy-2-butanone (CAS: 533-50-6)?

(3S)-1,3,4-Trihydroxy-2-butanone finds applications in the pharmaceutical industry for the synthesis of certain drug intermediates. It is also used in the polymer industry as a precursor for the production of biodegradable plastics. Additionally, it plays a role in sensor technology and as a chemical reagent in analytical chemistry.

What precautions should be taken when handling (3S)-1,3,4-Trihydroxy-2-butanone (CAS: 533-50-6)?

When handling (3S)-1,3,4-Trihydroxy-2-butanone, appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coat should be worn. Work should be conducted in a well-ventilated fume hood to minimize exposure. Spills should be neutralized with a suitable base, and the area should be thoroughly cleaned. Safety data sheets (SDS) should be consulted for detailed handling and disposal information.