Cas no 109462-42-2 (Oxiraneacetic acid, methyl ester, (R)-)

Oxiraneacetic acid, methyl ester, (R)- structure
109462-42-2 structure
Product Name:Oxiraneacetic acid, methyl ester, (R)-
CAS No:109462-42-2
MF:C5H8O3
MW:116.115221977234
CID:1192119
PubChem ID:53773585
Update Time:2025-04-20

Oxiraneacetic acid, methyl ester, (R)- Chemical and Physical Properties

Names and Identifiers

    • Oxiraneacetic acid, methyl ester, (R)-
    • (+) methyl 3,4 epoxybutyrate
    • 109462-42-2
    • Methyl (R)-2-(oxiran-2-yl)acetate
    • Methyl(R)-2-(oxiran-2-yl)acetate
    • Inchi： 1S/C5H8O3/c1-7-5(6)2-4-3-8-4/h4H,2-3H2,1H3/t4-/m1/s1
    • InChI Key： DQHYBNWZWWGNQB-SCSAIBSYSA-N
    • SMILES： O1C[C@H]1CC(=O)OC

Computed Properties

  • Exact Mass: 116.04734
  • Monoisotopic Mass: 116.047344113g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 3
  • Complexity: 99.8
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.3
  • Topological Polar Surface Area: 38.8?2

Experimental Properties

  • PSA: 38.83

Oxiraneacetic acid, methyl ester, (R)- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Isopropanol Catalysts: Alcohol dehydrogenase Solvents: Water ;  4 h, pH 7.5, 30 °C
1.2 Reagents: MTO-Dowex SBR-LCNG Catalysts: Halohydrin dehalogenase ;  20 h, 30 °C
Reference
Shifting the equilibrium of a biocatalytic cascade synthesis to enantiopure epoxides using anion exchangers
Schrittwieser, Joerg H.; et al, Tetrahedron: Asymmetry, 2009, 20(4), 483-488

Oxiraneacetic acid, methyl ester, (R)- Raw materials

Oxiraneacetic acid, methyl ester, (R)- Preparation Products

Oxiraneacetic acid, methyl ester, (R)- Related Literature

109462-42-2 (Oxiraneacetic acid, methyl ester, (R)-) Related Products

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