81827-55-6

Basic information

• Product Name: 2,5-Cyclohexadien-1-one, 2-benzoyl-4-(3,7-dimethyl-2,6-octadienyl)-3-h ydroxy-4,6-bis(3-methyl-2-butenyl)-
• Synonyms: 2,5-Cyclohexadien-1-one, 2-benzoyl-4-(3,7-dimethyl-2,6-octadienyl)-3-h ydroxy-4,6-bis(3-methyl-2-butenyl)-;kolanone
• CAS NO: 81827-55-6
• Molecular Formula: C₃₃H₄₂O₄
• Molecular Weight: 502.6842
• Mol File: 81827-55-6.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 581.5°Cat760mmHg
• Flash Point: 319.5°C
• Appearance: /
• Density: 1.068g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.561
• CAS DataBase Reference: 2,5-Cyclohexadien-1-one, 2-benzoyl-4-(3,7-dimethyl-2,6-octadienyl)-3-h ydroxy-4,6-bis(3-methyl-2-butenyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: 2,5-Cyclohexadien-1-one, 2-benzoyl-4-(3,7-dimethyl-2,6-octadienyl)-3-h ydroxy-4,6-bis(3-methyl-2-butenyl)-(81827-55-6)
• EPA Substance Registry System: 2,5-Cyclohexadien-1-one, 2-benzoyl-4-(3,7-dimethyl-2,6-octadienyl)-3-h ydroxy-4,6-bis(3-methyl-2-butenyl)-(81827-55-6)

Safety Data

• Hazardous Substances Data: 81827-55-6(Hazardous Substances Data)

Usage

Molecular structure

A complex molecule with a benzoyl group and multiple hydroxy and alkyl chains attached to a cyclohexadienone ring.

Benzoyl group

A functional group often found in drugs and pharmaceuticals, which may contribute to the compound's pharmacological properties.

Hydroxy groups

Present in the compound, which can form hydrogen bonds with biological molecules and may influence the compound's solubility and reactivity.

Alkyl chains

Multiple chains, including 3-methyl-2-butenyl groups, which may contribute to the compound's solubility and ability to interact with biological molecules.

Pharmacological properties

The presence of the benzoyl group suggests that the compound may have potential pharmacological properties, but further research is needed to fully understand its potential uses and effects.

Solubility

The multiple alkyl chains in the compound may contribute to its solubility in various solvents, which is important for its potential use in pharmaceutical applications.

Interaction with biological molecules

The presence of hydroxy and alkyl groups may allow the compound to interact with biological molecules, potentially leading to pharmacological effects.

Further research

More studies are needed to explore the compound's potential uses, effects, and mechanisms of action in biological systems.

InChI:InChI=1/C33H42O4/c1-22(2)12-11-13-25(7)19-21-33(20-18-24(5)6)31(36)27(17-16-23(3)4)30(35)28(32(33)37)29(34)26-14-9-8-10-15-26/h8-10,12,14-16,18-19,34-35H,11,13,17,20-21H2,1-7H3/b25-19+,29-28+/t33-/m1/s1

Upstream product

• 613-90-1 benzoyl cyanide 
• 1032124-90-5 (E)-2-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-2,4-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione 

Relevant articles and documents

Synthesis of polyprenylated benzoylphloroglucinols by regioselective prenylation of phloroglucinol in an aqueous medium

Regioselective tri-C-prenylation of phloroglucinol, leading to a compound with gem-disubstitution, has been achieved with prenyl bromide in the presence of potassium hydroxide in an aqueous medium. Geranyl- and isolavandulylphloroglucinol, obtained by ortho-lithiation, were diprenylated under the same conditions. C-Benzoylation of the trialkylated derivatives using benzoyl cyanide in the presence of triethylamine afforded two natural products, grandone and kolanone, and an isomer of weddellianone A. Attemped electrophilic cyclization reactions, aimed at a biomimetic synthesis of polycyclic polyprenylated acylphloroglucinols (PPAPs), are also reported. Wiley-VCH Verlag GmbH & Co. KGaA, 2008.