CAS 51615-30-6

Propanedioic acid, 2-(3-methylbutylidene)-, 1,3-diethyl ester

Description:

Propanedioic acid, 2-(3-methylbutylidene)-, 1,3-diethyl ester, also known by its CAS number 51615-30-6, is an organic compound characterized by its structure, which includes a propanedioic acid backbone with two ethyl ester groups and a 3-methylbutylidene substituent. This compound typically exhibits properties common to esters, such as being relatively non-polar, which influences its solubility in organic solvents while being less soluble in water. It may have a fruity or sweet odor, characteristic of many esters. The presence of the double bond in the 3-methylbutylidene group can impart reactivity, making it a potential candidate for various chemical reactions, including polymerization or as an intermediate in organic synthesis. Additionally, the compound's molecular structure suggests it may participate in hydrogen bonding, influencing its boiling and melting points. As with many organic compounds, safety data should be consulted for handling and storage, as it may pose health risks if ingested or inhaled.

Formula: C₁₂H₂₀O₄

InChI: InChI=1S/C12H20O4/c1-5-15-11(13)10(8-7-9(3)4)12(14)16-6-2/h8-9H,5-7H2,1-4H3

InChI key: InChIKey=WSMCGEUISONHKL-UHFFFAOYSA-N

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

Synonyms:

• 1,3-Diethyl 2-(3-methylbutylidene)propanedioate
• 2-(3-Methylbutylidene)malonic acid diethyl ester
• Diethyl (3-methylbutylidene)malonate
• Diethyl 2-(3-methylbutylidene)malonate
• Malonic acid, isopentylidene-, diethyl ester
• NSC 30048
• Propanedioic Acid, 2-(3-Methylbutylidene)-, Diethyl Ester
• Propanedioic acid, (3-methylbutylidene)-, diethyl ester
• Propanedioic acid, 2-(3-methylbutylidene)-, 1,3-diethyl ester

Pregabalin Impurity 90

CAS: 51615-30-6

Formula: C₁₂H₂₀O₄

Molecular weight: 228.29

Ref: 4Z-P-27120

Diethyl 2-(3-Methylbutylidene)malonate

Controlled Product

CAS: 51615-30-6

Applications Diethyl 2-(3-methylbutylidene)malonate used in the preparation of pregabalin (P704790) which is a GABA analogue used as an anticonvulsant. Anxiolytic analgesic used to treat peripheral neuropathic pain and fibromyalgia.
References Taylor, C.P., at al.: Epilepsy Res., 14, 11 (1993); Field, M.J., et al.: Pain, 80, 391 (1999); Satyanarayana Reddy et al., U.S. Pat. Appl. Publ. (2010);

Formula: C₁₂H₂₀O₄

Color and Shape: Neat

Molecular weight: 228.285

Ref: TR-D244100

Diethyl 2-(3-Methylbutylidene)malonate-13C3

Controlled Product

CAS: 51615-30-6

Formula: C₃C₉H₂₀O₄

Color and Shape: Neat

Molecular weight: 231.263

Ref: TR-D244102

Pregabalin Impurity 90

CAS: 51615-30-6

Formula: C₁₂H₂₀O₄

Molecular weight: 228.29

Ref: ST-EA-CP-P29146