Description

Methyl 4-cyano-2-(hydroxymethyl)benzoate (CAS No. 944838-24-8) is a high-purity organic compound with the molecular formula C₁₀H₉NO₃. This versatile benzoate derivative features both a cyano group and a hydroxymethyl group, making it a valuable intermediate in pharmaceutical and fine chemical synthesis. Its well-defined structure (IUPAC name: methyl 4-cyano-2-(hydroxymethyl)benzoate) ensures consistent reactivity for nucleophilic substitutions and ester transformations. Available in >98% purity by HPLC, this compound is supplied as a white to off-white crystalline powder with excellent batch-to-batch reproducibility. Ideal for research-scale reactions, it is packaged under inert gas with tamper-evident seals to guarantee stability. Store in cool, dry conditions (2-8°C) protected from light.

Properties

• CAS Number: 944838-24-8
• Complexity: 255
• IUPAC Name: methyl 4-cyano-2-(hydroxymethyl)benzoate
• InChI: InChI=1S/C10H9NO3/c1-14-10(13)9-3-2-7(5-11)4-8(9)6-12/h2-4,12H,6H2,1H3
• InChI Key: RVSWMNMXAGSNRM-UHFFFAOYSA-N
• Exact Mass: 191.058243149
• Molecular Formula: C10H9NO3
• Molecular Weight: 191.18
• SMILES: COC(=O)C1=C(C=C(C=C1)C#N)CO
• Topological: 70.3
• Monoisotopic Mass: 191.058243149
• Synonyms: methyl 4-cyano-2-(hydroxymethyl)benzoate, SCHEMBL5955864, SCHEMBL16951317, 944838-24-8

Application

Methyl 4-cyano-2-(hydroxymethyl)benzoate serves as a key building block in the synthesis of complex heterocycles and active pharmaceutical ingredients (APIs). The hydroxymethyl group enables facile functionalization through esterification or oxidation reactions, while the cyano group participates in cycloadditions and nucleophilic additions. Researchers utilize this compound in developing novel kinase inhibitors and antimicrobial agents. Its balanced polarity also makes it suitable for prodrug design and polymer modification studies.

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