Cas no 1803715-23-2 (Ethyl 3-cyano-4-hydroxymethyl-2-methylbenzoate)

Ethyl 3-cyano-4-hydroxymethyl-2-methylbenzoate is a versatile benzoate ester derivative featuring both cyano and hydroxymethyl functional groups. Its molecular structure, incorporating an ethyl ester moiety, enhances solubility in organic solvents, making it suitable for synthetic applications. The presence of reactive groups allows for further functionalization, particularly in pharmaceutical and fine chemical synthesis. The hydroxymethyl group offers potential for derivatization, while the cyano group can participate in nucleophilic addition reactions. This compound is valued for its stability under standard conditions and its utility as an intermediate in heterocyclic and medicinal chemistry research. Its well-defined structure ensures reproducibility in synthetic pathways.
Ethyl 3-cyano-4-hydroxymethyl-2-methylbenzoate structure
1803715-23-2 structure
Product Name:Ethyl 3-cyano-4-hydroxymethyl-2-methylbenzoate
CAS No:1803715-23-2
MF:C12H13NO3
MW:219.236523389816
CID:4789367
Update Time:2025-05-22

Ethyl 3-cyano-4-hydroxymethyl-2-methylbenzoate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 3-cyano-4-hydroxymethyl-2-methylbenzoate
    • Inchi: 1S/C12H13NO3/c1-3-16-12(15)10-5-4-9(7-14)11(6-13)8(10)2/h4-5,14H,3,7H2,1-2H3
    • InChI Key: IGPMJIKXJNDGLJ-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1C=CC(CO)=C(C#N)C=1C)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 294
  • XLogP3: 1.3
  • Topological Polar Surface Area: 70.3

Ethyl 3-cyano-4-hydroxymethyl-2-methylbenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A010010866-1g
Ethyl 3-cyano-4-hydroxymethyl-2-methylbenzoate
1803715-23-2 97%
1g
1,519.80 USD 2021-05-27
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