CAS 49769-78-0: 1,3-Dimethyl 2-(phenylmethyl)propanedioate

Description: 1,3-Dimethyl 2-(phenylmethyl)propanedioate, with the CAS number 49769-78-0, is an organic compound characterized by its ester functional groups and a complex structure that includes both methyl and phenyl substituents. This compound features a propanedioate backbone, which consists of two carboxylate groups, each esterified with a methyl group and a phenylmethyl group. The presence of the dimethyl groups contributes to its overall hydrophobic character, while the phenylmethyl group adds to its aromatic properties, potentially influencing its reactivity and solubility in organic solvents. The compound may exhibit interesting chemical behavior, including potential reactivity in condensation reactions or as a building block in organic synthesis. Its structural features suggest it could be utilized in various applications, including pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis. However, specific safety and handling information should be consulted, as with any chemical substance, to ensure proper laboratory practices.

Formula: C₁₂H₁₄O₄

InChI: InChI=1S/C12H14O4/c1-15-11(13)10(12(14)16-2)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3

InChI key: InChIKey=ZMYJSOIMFGAQRQ-UHFFFAOYSA-N

SMILES: O=C(OC)C(C(=O)OC)CC=1C=CC=CC1

Synonyms:

• 1,3-Dimethyl 2-(phenylmethyl)propanedioate
• 2-Benzyl-malonic acid dimethyl ester
• Dimethyl 2-benzylmalonate
• Dimethyl Benzylmalonate
• Dimethyl α-benzylmalonate
• Malonic acid, benzyl-, dimethyl ester
• Propanedioic Acid, 2-(Phenylmethyl)-, Dimethyl Ester
• Propanedioic acid, (phenylmethyl)-, dimethyl ester
• Propanedioic acid, 2-(phenylmethyl)-, 1,3-dimethyl ester

Dimethyl Benzylmalonate

CAS: 49769-78-0

• Formula: C₁₂H₁₄O₄
• Purity: >95.0%(GC)
• Color and Shape: Colorless to Almost colorless clear liquid
• Molecular weight: 222.24

DIMETHYL BENZYLMALONATE

CAS: 49769-78-0

• Formula: C₁₂H₁₄O₄
• Purity: 95.0%
• Color and Shape: Liquid
• Molecular weight: 222.2372

Dimethyl 2-benzylmalonate

CAS: 49769-78-0

• Purity: 95.0%
• Color and Shape: Liquid
• Molecular weight: 222.24000549316406

Dimethyl Benzylmalonate

CAS: 49769-78-0

Dimethyl Benzylmalonate is a versatile compound that has various applications in different fields. It is …

• Formula: C₁₂H₁₄O₄
• Purity: Min. 95%
• Molecular weight: 222.24 g/mol