Cas no 286442-89-5 (1-methyl-3-oxocyclobutane-1-carboxylic Acid)

1-Methyl-3-oxocyclobutane-1-carboxylic acid is a cyclobutane derivative featuring both a ketone and carboxylic acid functional group, making it a versatile intermediate in organic synthesis. Its strained cyclobutane ring enhances reactivity, facilitating ring-opening or functionalization reactions. The presence of the carbonyl group at the 3-position allows for further derivatization, while the carboxylic acid moiety enables easy conjugation or salt formation. This compound is particularly useful in pharmaceutical and agrochemical research, where its unique structure contributes to the development of novel bioactive molecules. Its stability under standard conditions ensures reliable handling and storage. Suitable for use in cycloadditions, cross-coupling, and other synthetic transformations.
1-methyl-3-oxocyclobutane-1-carboxylic Acid structure
286442-89-5 structure
Product Name:1-methyl-3-oxocyclobutane-1-carboxylic Acid
CAS No:286442-89-5
MF:C6H8O3
MW:128.125922203064
MDL:MFCD00604210
CID:1435454
PubChem ID:15579854
Update Time:2025-06-09

1-methyl-3-oxocyclobutane-1-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 1-methyl-3-oxocyclobutane-1-carboxylic Acid
    • AKOS006378630
    • AGN-PC-00PR26
    • PB12182
    • 1-methyl-3-oxo-cyclobutanecarboxylic acid
    • 1-methyl-3-oxocyclobutanecarboxylic acid
    • 1-Methyl-cyclobutanon-(3)-carbonsaeure-(1)
    • 3-carboxy-3-methylcyclobutanone
    • 1-Methyl-3-oxo-cyclobutancarbonsaeure
    • AKOS006378630; AGN-PC-00PR26; PB12182; 1-methyl-3-oxo-cyclobutanecarboxylic acid; 1-methyl-3-oxocyclobutanecarboxylic acid; 1-Methyl-cyclobutanon-(3)-carbonsaeure-(1); 3-carboxy-3-methylcyclobutanone; 1-Methyl-3-oxo-cyclobutancarbonsaeure;
    • SCHEMBL18220609
    • Cyclobutanecarboxylic acid, 1-methyl-3-oxo-
    • A876670
    • EN300-113256
    • 1-Methyl-3-oxocyclobutane-1-carboxylicacid
    • MFCD00604210
    • AS-34658
    • SY098245
    • 286442-89-5
    • CS-0052446
    • 1-methyl-3-oxocyclobutanecarboxylicacid
    • MDL： MFCD00604210
    • Inchi： 1S/C6H8O3/c1-6(5(8)9)2-4(7)3-6/h2-3H2,1H3,(H,8,9)
    • InChI Key： GURNKGAMQJTVCQ-UHFFFAOYSA-N
    • SMILES： O=C1CC(C(=O)O)(C)C1

Computed Properties

  • Exact Mass: 128.047344113g/mol
  • Monoisotopic Mass: 128.047344113g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 163
  • 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: -0.4
  • Topological Polar Surface Area: 54.4?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 272.3±33.0 °C at 760 mmHg
  • Flash Point: 132.7±21.9 °C
  • Vapor Pressure: 0.0±1.2 mmHg at 25°C

1-methyl-3-oxocyclobutane-1-carboxylic Acid Security Information

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