Cas no 797038-32-5 (4-Oxo-tetrahydro-furan-3-carboxylic Acid tert-Butyl Ester)

4-Oxo-tetrahydro-furan-3-carboxylic Acid tert-Butyl Ester structure
797038-32-5 structure
Product Name:4-Oxo-tetrahydro-furan-3-carboxylic Acid tert-Butyl Ester
CAS No:797038-32-5
MF:C9H14O4
MW:186.205063343048
MDL:MFCD21362347
CID:1085965
PubChem ID:11229204
Update Time:2024-10-27

4-Oxo-tetrahydro-furan-3-carboxylic Acid tert-Butyl Ester Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 4-oxotetrahydrofuran-3-carboxylate
    • 4-Oxo-Tetrahydro-Furan-3-Carboxylic Acid Tert-Butyl Ester
    • tert-butyl 4-oxooxolane-3-carboxylate
    • 1,1-Dimethylethyl tetrahydro-4-oxo-3-furancarboxylate (ACI)
    • AS-39780
    • SY125207
    • MFCD21362347
    • EN300-266309
    • tert-Butyl4-oxotetrahydrofuran-3-carboxylate
    • VAYGRVNWVNMUQL-UHFFFAOYSA-N
    • AKOS022184626
    • 797038-32-5
    • DB-102090
    • SCHEMBL1267171
    • ALBB-031539
    • XGB03832
    • 4-Oxo-tetrahydro-furan-3-carboxylic Acid tert-Butyl Ester
    • MDL: MFCD21362347
    • Inchi: 1S/C9H14O4/c1-9(2,3)13-8(11)6-4-12-5-7(6)10/h6H,4-5H2,1-3H3
    • InChI Key: VAYGRVNWVNMUQL-UHFFFAOYSA-N
    • SMILES: O=C(C1COCC1=O)OC(C)(C)C

Computed Properties

  • Exact Mass: 186.08920892g/mol
  • Monoisotopic Mass: 186.08920892g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 226
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.7
  • Topological Polar Surface Area: 52.6?2

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4-Oxo-tetrahydro-furan-3-carboxylic Acid tert-Butyl Ester Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Diethyl ether ;  0.5 h, rt
1.2 Solvents: Dimethyl sulfoxide ;  15 min, 0 °C; 30 min, rt
Reference
Asymmetric synthesis of the cis- and trans-stereoisomers of 4-aminopyrrolidine-3-carboxylic acid and 4-aminotetrahydrofuran-3-carboxylic acid
Bunnage, Mark E.; et al, Organic & Biomolecular Chemistry, 2004, 2(19), 2763-2776

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Diethyl ether ;  25 min, rt; 30 min, rt
1.2 Solvents: Dimethyl sulfoxide ;  10 min, cooled; 30 min, rt
Reference
Morphology transformation of foldamer assemblies triggered by single oxygen atom on critical residue switch
Oh, Byung-Chang; et al, Small, 2021, 17(36),

4-Oxo-tetrahydro-furan-3-carboxylic Acid tert-Butyl Ester Raw materials

4-Oxo-tetrahydro-furan-3-carboxylic Acid tert-Butyl Ester Preparation Products

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