CAS 146257-39-8
:Methyl 3-(1-cyanoethyl)benzoate
Description:
Methyl 3-(1-cyanoethyl)benzoate, identified by its CAS number 146257-39-8, is an organic compound that belongs to the class of benzoates. It features a methyl ester functional group and a cyanoethyl substituent, which contributes to its unique chemical properties. This compound typically appears as a colorless to pale yellow liquid with a characteristic aromatic odor. It is soluble in organic solvents such as ethanol and ether but has limited solubility in water due to its hydrophobic nature. Methyl 3-(1-cyanoethyl)benzoate may exhibit moderate volatility and can participate in various chemical reactions, including nucleophilic substitutions and esterifications. Its cyano group can also impart specific reactivity, making it useful in synthetic organic chemistry. Additionally, this compound may have applications in the synthesis of pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis. As with many organic compounds, proper handling and safety precautions should be observed due to potential toxicity and environmental impact.
Formula:C11H11NO2
InChI:InChI=1S/C11H11NO2/c1-8(7-12)9-4-3-5-10(6-9)11(13)14-2/h3-6,8H,1-2H3
InChI key:InChIKey=VMRCDTRPKXLHOY-UHFFFAOYSA-N
SMILES:C(C#N)(C)C1=CC(C(OC)=O)=CC=C1
Synonyms:- Methyl 3-(1-cyanoethyl)benzoate
- Benzoic acid, 3-(1-cyanoethyl)-, methyl ester
- Methyl m-(1-cyanoethyl)benzoate
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