CAS 125670-62-4
:Methyl 4-cyano-α-methylbenzeneacetate
Description:
Methyl 4-cyano-α-methylbenzeneacetate, with the CAS number 125670-62-4, is an organic compound characterized by its ester functional group and the presence of a cyano group. This compound features a methyl ester derived from the reaction of 4-cyano-α-methylbenzeneacetic acid and methanol. It typically appears as a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. The presence of the cyano group contributes to its reactivity, making it a potential intermediate in various organic synthesis processes. Methyl 4-cyano-α-methylbenzeneacetate may exhibit moderate solubility in organic solvents, while its solubility in water is generally low due to its hydrophobic characteristics. The compound's structure suggests potential applications in pharmaceuticals, agrochemicals, and materials science, particularly in the synthesis of more complex molecules. As with many organic compounds, handling should be done with care, considering potential toxicity and environmental impact.
Formula:C11H11NO2
InChI:InChI=1S/C11H11NO2/c1-8(11(13)14-2)10-5-3-9(7-12)4-6-10/h3-6,8H,1-2H3
InChI key:InChIKey=QJWJIZXXJBUULG-UHFFFAOYSA-N
SMILES:C(C(OC)=O)(C)C1=CC=C(C#N)C=C1
Synonyms:- Methyl 4-cyano-α-methylbenzeneacetate
- Benzeneacetic acid, 4-cyano-α-methyl-, methyl ester
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