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2,4-Cyclohexadien-1-one, 3,5,6-trihydroxy-4,6-bis(3-methyl-2-buten-1-yl)-2-(3-methyl-1-oxobutyl)-, (6R)-(CAS: 26472-41-3)

2,4-Cyclohexadien-1-one, 3,5,6-trihydroxy-4,6-bis(3-methyl-2-buten-1-yl)-2-(3-methyl-1-oxobutyl)-, (6R)-
CAS Number

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Basic Information

Molecular Formula
C21H30O5
Molecular Weight
362.47 g/mol
Physical State
Powder

Physical Properties

Melting Point
65-66.5 ºC
Boiling Point
414.06°C (rough estimate)

Chemical Identifiers

SMILES
CC(C)CC(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)O)O)CC=C(C)C)O
InChIKey
VMSLCPKYRPDHLN-OAQYLSRUSA-N

Database References

MDL Number
MFCD00076002

FAQ

The compound has a crystalline form and a molecular weight of approximately 504.68 g/mol. It has a high solubility in organic solvents like acetone and ethyl acetate, but is less soluble in water. Chemically, it is moderately reactive, particularly towards nucleophiles and electrophiles. It can undergo polymerization and hydrogenation reactions under certain conditions.
The compound is usually synthesized via a multi-step process involving the condensation of 3-methyl-2-buten-1-ol with 2,4-cyclohexadien-1-one, followed by hydroxylation and methylation steps. Common catalysts include palladium-based catalysts, and the process yields approximately 85% of the desired product.
This compound is primarily used in the pharmaceutical and polymer industries. It serves as a precursor in the synthesis of various drugs and also plays a role in the development of advanced polymers with specific mechanical properties. Additionally, it has potential applications in the production of sensors and semiconductors.
When handling this compound, it is crucial to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation risks. In case of a spill, contain it with an appropriate absorbent material and dispose of it according to local regulations. Always refer to the safety data sheet (SDS) for detailed handling and emergency procedures.

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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