Cas no 5736-05-0 (1,3-dioxolane-2-carboxylic acid)

1,3-Dioxolane-2-carboxylic acid is a versatile heterocyclic compound characterized by its dioxolane ring and carboxylic acid functional group. This structure imparts reactivity useful in organic synthesis, particularly as a building block for pharmaceuticals, agrochemicals, and fine chemicals. Its cyclic acetal moiety offers stability under certain conditions while remaining amenable to selective transformations. The carboxylic acid group enables further derivatization, such as esterification or amidation, enhancing its utility in multi-step syntheses. The compound’s balanced polarity and moderate acidity make it suitable for applications requiring controlled reactivity. It is often employed in asymmetric synthesis and as an intermediate for chiral auxiliaries or ligands. Proper handling and storage are recommended due to its sensitivity to hydrolysis under acidic or basic conditions.
1,3-dioxolane-2-carboxylic acid structure
5736-05-0 structure
Product Name:1,3-dioxolane-2-carboxylic acid
CAS No:5736-05-0
MF:C4H6O4
MW:118.088041782379
CID:1604085
PubChem ID:355326
Update Time:2025-06-07

1,3-dioxolane-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-bromo-2-[(cyclohexylcarbonyl)amino]benzoic acid
    • benzoic acid, 5-bromo-2-[(cyclohexylcarbonyl)amino]-
    • 1,3-dioxolane-2-carboxylic acid
    • EN300-154942
    • AKOS006295794
    • 5736-05-0
    • CS-0530144
    • dioxolane carboxylic acid
    • DB-407220
    • Z1198167310
    • SCHEMBL1845838
    • Inchi: 1S/C4H6O4/c5-3(6)4-7-1-2-8-4/h4H,1-2H2,(H,5,6)
    • InChI Key: NXUBLCILQTXVGB-UHFFFAOYSA-N
    • SMILES: O1CCOC1C(=O)O

Computed Properties

  • Exact Mass: 325.03138
  • Monoisotopic Mass: 325.031356
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 342
  • 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: 66.4
  • XLogP3: -0.6

Experimental Properties

  • Density: 1.525
  • Boiling Point: 514.5°C at 760 mmHg
  • Flash Point: 265°C
  • Refractive Index: 1.629
  • PSA: 66.4

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