Cas no 1807290-18-1 (Ethyl 3-cyano-5-formyl-2-methoxybenzoate)

Ethyl 3-cyano-5-formyl-2-methoxybenzoate is a versatile benzoate ester derivative characterized by its multifunctional reactivity, including a cyano group, formyl group, and methoxy substituent. The presence of these functional groups makes it a valuable intermediate in organic synthesis, particularly for constructing heterocyclic compounds, pharmaceuticals, and fine chemicals. The ester moiety enhances solubility in organic solvents, facilitating further derivatization. Its structural features enable selective modifications, such as nucleophilic additions to the formyl group or cyano group transformations. This compound is particularly useful in medicinal chemistry and material science due to its ability to serve as a precursor for complex molecular frameworks. High purity and stability under standard conditions ensure reliable performance in synthetic applications.
Ethyl 3-cyano-5-formyl-2-methoxybenzoate structure
1807290-18-1 structure
Product Name:Ethyl 3-cyano-5-formyl-2-methoxybenzoate
CAS No:1807290-18-1
MF:C12H11NO4
MW:233.220043420792
CID:4795040
Update Time:2025-10-17

Ethyl 3-cyano-5-formyl-2-methoxybenzoate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 3-cyano-5-formyl-2-methoxybenzoate
    • Inchi: 1S/C12H11NO4/c1-3-17-12(15)10-5-8(7-14)4-9(6-13)11(10)16-2/h4-5,7H,3H2,1-2H3
    • InChI Key: AWBWMAFDFBGKAU-UHFFFAOYSA-N
    • SMILES: O(C)C1C(C#N)=CC(C=O)=CC=1C(=O)OCC

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 5
  • Complexity: 333
  • XLogP3: 1.3
  • Topological Polar Surface Area: 76.4

Ethyl 3-cyano-5-formyl-2-methoxybenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A015006513-250mg
Ethyl 3-cyano-5-formyl-2-methoxybenzoate
1807290-18-1 97%
250mg
$484.80 2023-09-03
Alichem
A015006513-500mg
Ethyl 3-cyano-5-formyl-2-methoxybenzoate
1807290-18-1 97%
500mg
$798.70 2023-09-03
Alichem
A015006513-1g
Ethyl 3-cyano-5-formyl-2-methoxybenzoate
1807290-18-1 97%
1g
$1564.50 2023-09-03

Ethyl 3-cyano-5-formyl-2-methoxybenzoate Related Literature

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