Cas no 4676-51-1 (diethyl methylsuccinate)

diethyl methylsuccinate structure
diethyl methylsuccinate structure
Product Name:diethyl methylsuccinate
CAS No:4676-51-1
MF:C9H16O4
MW:188.220943450928
CID:930525
PubChem ID:107321
Update Time:2025-04-19

diethyl methylsuccinate Chemical and Physical Properties

Names and Identifiers

    • diethyl methylsuccinate
    • diethyl 2-methylbutanedioate
    • 1,4-DIETHYL 2-METHYLBUTANEDIOATE
    • Diethyl 2-methylsuccinate #
    • BUTANEDIOIC ACID, 2-METHYL-, 1,4-DIETHYL ESTER
    • UNII-I363W620XV
    • Diethyl 2-methylsuccinate
    • AMY18809
    • I363W620XV
    • DTXSID80871093
    • CHEBI:173899
    • Butanedioic acid, methyl-, diethyl ester
    • 1,2-BIS(ETHOXYCARBONYL)PROPANE
    • 4676-51-1
    • Q27887009
    • Diethyl pyrotartrate
    • SCHEMBL1245716
    • NS00046692
    • AKOS024319178
    • EINECS 225-129-1
    • DIETHYL 2-METHYL-1,4-BUTANEDIOATE
    • Inchi： 1S/C9H16O4/c1-4-12-8(10)6-7(3)9(11)13-5-2/h7H,4-6H2,1-3H3
    • InChI Key： XHLXMRJWRKQMCP-UHFFFAOYSA-N
    • SMILES： O(CC)C(C(C)CC(=O)OCC)=O

Computed Properties

  • Exact Mass: 188.10488
  • Monoisotopic Mass: 188.10485899g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 7
  • Complexity: 177
  • 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: 1.2
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • Density: 1.01 g/mL at 25 °C(lit.)
  • Boiling Point: 217.5°C (estimate)
  • Refractive Index: 1.4199 (estimate)
  • PSA: 52.6

diethyl methylsuccinate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Ferrate(1-), tetracarbonylhydro-, sodium (1:1), (TB-5-12)-
1.2 Reagents: Iodine
Reference
Sodium tetracarbonylhydridoferrate
Hossain, M. Mahmun; et al, e-EROS Encyclopedia of Reagents for Organic Synthesis, 2001, 1, 1-3

diethyl methylsuccinate Raw materials

diethyl methylsuccinate Preparation Products

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