Cas no 97316-52-4 (2,3-Diethyl 4-cyano-2,3-pyridinedicarboxylate)

2,3-Diethyl 4-cyano-2,3-pyridinedicarboxylate structure
97316-52-4 structure
Product Name:2,3-Diethyl 4-cyano-2,3-pyridinedicarboxylate
CAS No:97316-52-4
MF:C12H12N2O4
MW:248.234683036804
CID:5616219
PubChem ID:13481488
Update Time:2023-09-05

2,3-Diethyl 4-cyano-2,3-pyridinedicarboxylate Chemical and Physical Properties

Names and Identifiers

    • 2,3-Diethyl 4-cyano-2,3-pyridinedicarboxylate
    • 97316-52-4
    • DTXSID701254677
    • Inchi: 1S/C12H12N2O4/c1-3-17-11(15)9-8(7-13)5-6-14-10(9)12(16)18-4-2/h5-6H,3-4H2,1-2H3
    • InChI Key: WCCVIGBTBIQFGP-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1=C(C#N)C=CN=C1C(=O)OCC)=O

Computed Properties

  • Exact Mass: 248.07970687g/mol
  • Monoisotopic Mass: 248.07970687g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 6
  • Complexity: 360
  • 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: 1.3
  • Topological Polar Surface Area: 89.3?2

2,3-Diethyl 4-cyano-2,3-pyridinedicarboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sulfuric acid ,  Ferrous sulfate ,  Hydrogen peroxide Solvents: Water
Reference
Decisive increase of regioselectivity in radical substitutions: Minisci reaction in the two-phase system
Heinisch, Gottfried; Loetsch, Gerhard; Vieboeck, Franz, Angewandte Chemie, 1985, 97(8), 694-5

2,3-Diethyl 4-cyano-2,3-pyridinedicarboxylate Raw materials

2,3-Diethyl 4-cyano-2,3-pyridinedicarboxylate Preparation Products

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