Cas no 889944-57-4 (6-Oxospiro[3.3]heptane-2-carboxylic acid)

6-Oxospiro[3.3]heptane-2-carboxylic acid structure
889944-57-4 structure
Product Name:6-Oxospiro[3.3]heptane-2-carboxylic acid
CAS No:889944-57-4
MF:C8H10O3
MW:154.163202762604
MDL:MFCD08436470
CID:1006256
Update Time:2024-10-26

6-Oxospiro[3.3]heptane-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 6-Oxospiro[3.3]heptane-2-carboxylic acid
    • 6-Oxospiro(3,3,)heptanes-2-carboxylic acid
    • 6-oxo-Spiro[3.3]heptane-2-carboxylic acid
    • 6-oxospiro[3.3]heptane-2-...
    • FGDRQRQOJRZARK-UHFFFAOYSA-N
    • PB27918
    • AK130145
    • AB0082728
    • ST1070426
    • AM20070627
    • Z414834508
    • 6-Oxospiro[3.3]heptane-2-carboxylic acid (ACI)
    • 2-Oxospiro[3.3]heptane-6-carboxylic acid
    • 6-Oxospiro[3.3]heptan-2-ylcarboxylic acid
    • MDL: MFCD08436470
    • Inchi: 1S/C8H10O3/c9-6-3-8(4-6)1-5(2-8)7(10)11/h5H,1-4H2,(H,10,11)
    • InChI Key: FGDRQRQOJRZARK-UHFFFAOYSA-N
    • SMILES: O=C(C1CC2(CC(=O)C2)C1)O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 216
  • Topological Polar Surface Area: 54.4

Experimental Properties

  • Boiling Point: 345.6±42.0°C at 760 mmHg

6-Oxospiro[3.3]heptane-2-carboxylic acid Security Information

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6-Oxospiro[3.3]heptane-2-carboxylic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium hydroxide
1.2 Reagents: Pyridine ;  heated
Reference
Cyclobutane-Derived Diamines: Synthesis and Molecular Structure
Radchenko, Dmytro S.; Pavlenko, Sergiy O.; Grygorenko, Oleksandr O.; Volochnyuk, Dmitriy M.; Shishkina, Svitlana V.; et al, Journal of Organic Chemistry, 2010, 75(17), 5941-5952

Production Method 2

Reaction Conditions
1.1 Solvents: Pyridine ;  5 h, reflux
1.2 Reagents: Hydrochloric acid Solvents: Water ;  rt
Reference
Synthesis of conformationally restricted glutamic acid analogs based on the spiro[3.3]heptane scaffold
Radchenko, Dmytro S.; Grygorenko, Oleksandr O.; Komarov, Igor V., Tetrahedron: Asymmetry, 2008, 19(24), 2924-2930

6-Oxospiro[3.3]heptane-2-carboxylic acid Raw materials

6-Oxospiro[3.3]heptane-2-carboxylic acid Preparation Products

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