20-Methoxy-20-oxoicosanoic acid

Basic Information

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CAS Number

1767-98-2

Molecular Formula

C21H40O4

Molecular Weight

356.54 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

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

SMILES

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COC(=O)CCCCCCCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C21H40O4/c1-25-21(24)19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20(22)23/h2-19H2,1H3,(H,22,23)

InChIKey

JFTSFGWNTQTGKX-UHFFFAOYSA-N

LogP

6.265800000000007

Topological Polar Surface Area

63.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

315

Synonyms & References

English

Eicosanedioic acid, monomethyl ester
Icosanedioic acid hydrogen 1-methyl ester
20-Methoxy-20-oxoicosanoic acid

MDL Number

MFCD32196848

FAQ

What are the physical and chemical properties of 20-Methoxy-20-oxoicosanoic acid (CAS: 1767-98-2)?

20-Methoxy-20-oxoicosanoic acid is a solid at room temperature, forming a white crystalline powder. Its molecular weight is approximately 364.46 g/mol. The compound is slightly soluble in water and has good solubility in organic solvents like ethanol and acetone. It is chemically stable, but it can react with strong bases to form sodium salts or similar derivatives.

How is 20-Methoxy-20-oxoicosanoic acid (CAS: 1767-98-2) typically synthesized?

20-Methoxy-20-oxoicosanoic acid can be synthesized via the Wittig reaction using 20-methoxy-20-hydroxyicosanone and phosphorus ylide. This reaction provides good yield and selectivity. The process involves the use of a coupling agent and a base, typically performed under anhydrous conditions to avoid hydrolysis.

What industries use 20-Methoxy-20-oxoicosanoic acid (CAS: 1767-98-2)?

20-Methoxy-20-oxoicosanoic acid is primarily used in the pharmaceutical industry for various applications, including as a precursor in the synthesis of drugs and prodrugs. It also finds applications in the polymer industry as an additive to enhance properties such as flexibility and resistance. Additionally, it is used in the development of certain sensor materials and as a component in some semiconductors.

What precautions should be taken when handling 20-Methoxy-20-oxoicosanoic acid (CAS: 1767-98-2)?

When handling 20-Methoxy-20-oxoicosanoic acid, it is advisable to wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to avoid inhalation. Spills should be cleaned up carefully, using appropriate absorbent materials, and the area should be thoroughly rinsed. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.