Cas no 63379-62-4 (iodomethyl 2-methylpropanoate)

Iodomethyl 2-methylpropanoate is a versatile alkylating agent widely used in organic synthesis, particularly for introducing the iodomethyl or 2-methylpropionyl group into target molecules. Its high reactivity makes it valuable in nucleophilic substitution reactions, enabling efficient functionalization of substrates. The compound is especially useful in pharmaceutical and agrochemical research for constructing complex molecular frameworks. Its stability under controlled conditions ensures reliable handling, while its well-defined reactivity profile allows for precise synthetic modifications. The ester moiety further enhances its utility in cross-coupling and esterification reactions. Proper storage in cool, dry environments is recommended to maintain its integrity. Suitable for use under inert atmospheres to prevent decomposition.
iodomethyl 2-methylpropanoate structure
iodomethyl 2-methylpropanoate structure
Product Name:iodomethyl 2-methylpropanoate
CAS No:63379-62-4
MF:C5H9IO2
MW:228.028234243393
CID:1657523
PubChem ID:10376456
Update Time:2025-08-14

iodomethyl 2-methylpropanoate Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid, 2-methyl-, iodomethyl ester
    • iodomethyl 2-methylpropanoate
    • 63379-62-4
    • KWIBRJGXWFDQNU-UHFFFAOYSA-N
    • isobutyryloxymethyl iodide
    • EN300-177240
    • iodomethyl isobutyrate
    • SCHEMBL304574
    • Inchi: 1S/C5H9IO2/c1-4(2)5(7)8-3-6/h4H,3H2,1-2H3
    • InChI Key: KWIBRJGXWFDQNU-UHFFFAOYSA-N
    • SMILES: ICOC(C(C)C)=O

Computed Properties

  • Exact Mass: 227.96427
  • Monoisotopic Mass: 227.96473g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 3
  • Complexity: 80.5
  • 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
  • XLogP3: 1.9
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3

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