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CAS 49769-78-0

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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:C(CC1=CC=CC=C1)(C(OC)=O)C(OC)=O
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
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