CAS 18719-44-3

1,3-Diethyl 2-(4-chlorobutyl)propanedioate

Description:

1,3-Diethyl 2-(4-chlorobutyl)propanedioate, with the CAS number 18719-44-3, is an organic compound characterized by its structure, which includes two ethyl ester groups and a chlorobutyl substituent on a propanedioate backbone. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and temperature. It is soluble in organic solvents such as ethanol and acetone but has limited solubility in water due to its hydrophobic ethyl groups. The presence of the chlorobutyl moiety may impart specific reactivity, making it useful in various chemical syntheses or as an intermediate in organic reactions. Additionally, the compound may exhibit biological activity, which could be of interest in pharmaceutical applications. As with many organic compounds, safety precautions should be taken when handling it, as it may pose health risks if ingested or inhaled. Proper storage conditions should be maintained to ensure stability and prevent degradation.

Formula: C₁₁H₁₉ClO₄

InChI: InChI=1S/C11H19ClO4/c1-3-15-10(13)9(7-5-6-8-12)11(14)16-4-2/h9H,3-8H2,1-2H3

InChI key: InChIKey=LULFMPCFMFPELT-UHFFFAOYSA-N

SMILES: C(C(OCC)=O)(C(OCC)=O)CCCCCl

Synonyms:

• Malonic acid, (4-chlorobutyl)-, diethyl ester
• 1,3-Diethyl 2-(4-chlorobutyl)propanedioate
• Propanedioic acid, 2-(4-chlorobutyl)-, 1,3-diethyl ester
• Propanedioic acid, (4-chlorobutyl)-, diethyl ester

Diethyl 2-(4-Chlorobutyl)malonate

Controlled Product

CAS: 18719-44-3

Applications Diethyl 2-(4-Chlorobutyl)malonate it's structure activity studies on 1,3-Dioxane-2-carboxylic Acid derivitives, a class of subtype-selective Peroxisome Proliferator-Activated Receptor α (PPARα) agonists.
References Asaki, T., et al.: Bioorganic & Medicinal Chemistry, 16, 981-994 (2008);

Formula: C₁₁H₁₉ClO₄

Color and Shape: Neat

Molecular weight: 250.719

Ref: TR-D187190