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1-(2,4-Dihydroxy-6-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-3-(4-hydroxyphenyl)propan-1-one dihydrate(CAS: 7061-54-3)

1-(2,4-Dihydroxy-6-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-3-(4-hydroxyphenyl)propan-1-one dihydrate
CAS Number

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Basic Information

Molecular Formula
C21H28O12
Molecular Weight
472.44 g/mol
Physical State
Powder

Physical Properties

Melting Point
113-114 °C (lit.)
Boiling Point
770℃ at 760 mmHg
Density
1.5550
Flash Point
270.7°C

Chemical Identifiers

SMILES
C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O)O.O.O
InChIKey
XQWBNXSENPTIDY-YXMARJSJSA-N

Database References

MDL Number
MFCD00149438

FAQ

The compound is a dihydrate, meaning it contains two water molecules per molecule. Its molecular weight is approximately 686.4 g/mol. Physically, it is a white crystalline powder. It is soluble in water and ethanol but less so in organic solvents. Chemically, it is stable under neutral conditions but can be sensitive to strong acids and bases. It reacts readily with reducing agents and can undergo hydrogen bond formation with water or other polar solvents.
The compound is typically synthesized via a multi-step reaction involving the condensation of a 2,4-dihydroxy-6-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl) alcohol with a 4-hydroxyphenylacetaldehyde derivative. This process often uses a Brønsted acid catalyst, such as trifluoroacetic acid, to promote the condensation reaction with high yield and selectivity. The final step involves the dehydration of the product followed by the addition of water to form the dihydrate.
This compound is primarily used in the pharmaceutical industry as a precursor for the synthesis of active pharmaceutical ingredients. It is also utilized in the polymer industry for the development of functional polymers with specific properties. Additionally, it has applications in sensors for detecting certain molecules and in the semiconductor industry for the fabrication of thin films and other electronic components.
Handling this compound requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be performed in a well-ventilated area, preferably under a fume hood, to minimize exposure to vapors. Spills should be cleaned up using absorbent materials and disposed of according to local regulations. Safety data sheets (SDS) should be consulted for detailed information on handling and storage. The compound should be stored in a cool, dry place away from heat sources and incompatible materials.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

Contact Information

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