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CAS 28868-76-0

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Propanedioic acid, 2-chloro-, 1,3-dimethyl ester

Description:
Propanedioic acid, 2-chloro-, 1,3-dimethyl ester, commonly known as dimethyl 2-chloromalonate, is an organic compound characterized by its ester functional groups and a chlorinated carbon atom. It features a propanedioic acid backbone with two methyl ester groups at the 1 and 3 positions and a chlorine substituent at the 2 position. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and form. It is soluble in organic solvents such as ethanol and ether but has limited solubility in water due to its hydrophobic methyl groups. The presence of the chlorine atom enhances its reactivity, making it useful in various organic synthesis applications, particularly in the preparation of pharmaceuticals and agrochemicals. Additionally, the compound may exhibit moderate toxicity, necessitating careful handling and appropriate safety measures during use. Its chemical structure allows for participation in nucleophilic substitution reactions, making it a valuable intermediate in synthetic organic chemistry.
Formula:C5H7ClO4
InChI:InChI=1S/C5H7ClO4/c1-9-4(7)3(6)5(8)10-2/h3H,1-2H3
InChI key:InChIKey=LNBQBURECUEBKZ-UHFFFAOYSA-N
SMILES:C(C(OC)=O)(C(OC)=O)Cl
Synonyms:
  • 1,3-Dimethyl 2-chloropropanedioate
  • 2-Chloro-malonic acid dimethyl ester
  • Chloropropanedioic acid dimethyl ester
  • Dimethyl 2-chloromalonate
  • Dimethyl 2-chloropropanedioate
  • Dimethyl Chloropropanedioate
  • Dimethyl α-chloromalonate
  • Malonic acid, chloro-, dimethyl ester
  • Propanedioic acid, 2-chloro-, 1,3-dimethyl ester
  • Propanedioic acid, chloro-, dimethyl ester
  • Dimethyl chloromalonate
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