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CAS 13361-31-4

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2-Methylpropyl 2-cyanoacetate

Description:
2-Methylpropyl 2-cyanoacetate, also known as isobutyl cyanoacetate, is an organic compound characterized by its ester functional group and the presence of a cyano group. It typically appears as a colorless to pale yellow liquid with a fruity odor. This compound is soluble in organic solvents such as ethanol and ether but has limited solubility in water. Its molecular structure includes a branched alkyl group, which contributes to its unique properties, including moderate volatility and reactivity. 2-Methylpropyl 2-cyanoacetate is often utilized in organic synthesis, particularly in the production of various pharmaceuticals and agrochemicals, due to its ability to participate in nucleophilic addition reactions. Additionally, it may exhibit moderate toxicity, necessitating appropriate safety precautions during handling and use. As with many cyano compounds, it is important to consider its potential environmental impact and to follow regulatory guidelines for safe disposal and usage.
Formula:C7H11NO2
InChI:InChI=1S/C7H11NO2/c1-6(2)5-10-7(9)3-4-8/h6H,3,5H2,1-2H3
InChI key:InChIKey=HRGQEKKNLHJZGZ-UHFFFAOYSA-N
SMILES:C(OCC(C)C)(CC#N)=O
Synonyms:
  • 2-Methylpropyl 2-cyanoacetate
  • 2-Methylpropyl cyanoacetate
  • Acetic acid, 2-cyano-, 2-methylpropyl ester
  • Acetic acid, cyano-, 2-methylpropyl ester
  • Acetic acid, cyano-, iso-butyl ester
  • Acetic acid, cyano-, isobutyl ester
  • Cyanoacetic acid isobutyl ester
  • Isobutyl 2-cyanoacetate
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