Cas no 53651-72-2 (2-Allyl-2-methylmalonic Acid Eiethyl Ester)

2-Allyl-2-methylmalonic acid diethyl ester is a versatile ester derivative of malonic acid, characterized by its allyl and methyl substituents on the central carbon. This compound is primarily used as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its diethyl ester group enhances solubility in organic solvents, facilitating reactions such as alkylations, condensations, and cyclizations. The allyl moiety offers additional reactivity for further functionalization, including cross-coupling or polymerization processes. The product's stability under standard conditions and well-defined reactivity profile make it a valuable building block for complex molecular frameworks. Proper handling should adhere to standard laboratory safety protocols for ester compounds.
2-Allyl-2-methylmalonic Acid Eiethyl Ester structure
53651-72-2 structure
Product Name:2-Allyl-2-methylmalonic Acid Eiethyl Ester
CAS No:53651-72-2
MF:C11H18O4
MW:214.258224010468
CID:1063659
PubChem ID:4383937
Update Time:2025-10-24

2-Allyl-2-methylmalonic Acid Eiethyl Ester Chemical and Physical Properties

Names and Identifiers

    • 2-Allyl-2-methylmalonic Acid Eiethyl Ester
    • methyl-2-propenylpropanedioic acid diethyl ester
    • Diethyl 2-allyl-2-methylmalonate
    • CWGGTBZQRNZEEF-UHFFFAOYSA-N
    • AKOS024339885
    • 1,3-diethyl 2-methyl-2-(prop-2-en-1-yl)propanedioate
    • SCHEMBL3977030
    • Diethyl2-allyl-2-methylmalonate
    • diethyl allyl(methyl)malonate
    • DB-108572
    • diethyl 2-methyl-2-prop-2-enylpropanedioate
    • 53651-72-2
    • MDL: MFCD00154457
    • Inchi: 1S/C11H18O4/c1-5-8-11(4,9(12)14-6-2)10(13)15-7-3/h5H,1,6-8H2,2-4H3
    • InChI Key: CWGGTBZQRNZEEF-UHFFFAOYSA-N
    • SMILES: O(CC)C(C(C(=O)OCC)(C)CC=C)=O

Computed Properties

  • Exact Mass: 214.12100
  • Monoisotopic Mass: 214.121
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 8
  • Complexity: 227
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 52.6A^2
  • XLogP3: 2.4

Experimental Properties

  • PSA: 52.60000
  • LogP: 1.69500

2-Allyl-2-methylmalonic Acid Eiethyl Ester Pricemore >>

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