Clerodermic Acid Methyl Ester

Basic Information

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CAS Number

67650-47-9

Molecular Formula

C21H30O4

Molecular Weight

346.46 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

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Physical State

Powder

SMILES

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CC1CCC2(C(C1(C)CCC3=CC(=O)OC3)CCC=C2C(=O)OC)C

InChI

InChI=1S/C21H30O4/c1-14-8-10-21(3)16(19(23)24-4)6-5-7-17(21)20(14,2)11-9-15-12-18(22)25-13-15/h6,12,14,17H,5,7-11,13H2,1-4H3

InChIKey

ZAOFNJDVAJQRBK-UHFFFAOYSA-N

LogP

4.201700000000003

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

632

Synonyms & References

English

AKOS032948637
Methyl (4aR,5S,6R,8aR)-5,6,8a-trimethyl-5-(2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl)-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate
67650-47-9
Clerodermic acid methyl ester
FS-8949
METHYL (4AR,5S,6R,8AR)-5,6,8A-TRIMETHYL-5-[2-(5-OXO-2H-FURAN-3-YL)ETHYL]-3,4,4A,6,7,8-HEXAHYDRONAPHTHALENE-1-CARBOXYLATE
Methyl clerodermate
Clerodermicacidmethylester
Methyl (4aR,5S,6R,8aR)-5,6,8a-trimethyl-5-[2-(5-oxo-2,5-dihydro-3 -furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxyl ate
[ "Clerodermic acid methyl ester" ]

MDL Number

MFCD20260659

FAQ

What are the physical and chemical properties of Clerodermic Acid Methyl Ester (CAS: 67650-47-9)?

Clerodermic Acid Methyl Ester is a crystalline solid with a molecular weight of approximately 238.35 g/mol. It has a low water solubility and is soluble in common organic solvents like methanol and ethanol. Chemically, it is reactive towards bases and can undergo ester hydrolysis under basic conditions.

How is Clerodermic Acid Methyl Ester (CAS: 67650-47-9) typically synthesized?

Clerodermic Acid Methyl Ester is usually synthesized by esterification of clerodermic acid with methanol in the presence of a strong acid catalyst like sulfuric acid. The reaction is typically carried out under reflux conditions to ensure complete esterification, with a high yield of around 90%.

What industries use Clerodermic Acid Methyl Ester (CAS: 67650-47-9)?

Clerodermic Acid Methyl Ester is primarily used in the pharmaceutical industry for its potential as a bioactive compound. It also finds applications in the formulation of certain polymer-based coatings and in the production of certain types of sensors due to its unique chemical properties.

What precautions should be taken when handling Clerodermic Acid Methyl Ester (CAS: 67650-47-9)?

When handling Clerodermic Acid Methyl Ester, it is crucial to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. The substance should be used in a well-ventilated area or a fume hood to avoid inhalation. Spills should be handled with caution using appropriate absorbent materials and the incident should be reported to the safety officer. Always refer to the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS) for detailed guidelines.