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CAS 1116-98-9

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tert-Butyl cyanoacetate

Description:
Tert-Butyl cyanoacetate is an organic compound characterized by its ester functional group, specifically a cyanoacetate. It features a tert-butyl group, which contributes to its branched structure, enhancing its steric hindrance and influencing its reactivity. The compound is typically a colorless to pale yellow liquid with a fruity odor. It is soluble in organic solvents such as ethanol and ether but has limited solubility in water due to its hydrophobic tert-butyl group. Tert-Butyl cyanoacetate is known for its utility in organic synthesis, particularly in the formation of various derivatives and as a building block in the synthesis of pharmaceuticals and agrochemicals. It can undergo reactions such as nucleophilic substitution and condensation, making it versatile in chemical transformations. Safety precautions should be observed when handling this compound, as it may pose health risks if inhaled or ingested, and appropriate personal protective equipment should be used.
Formula:C7H11NO2
InChI:InChI=1/C7H11NO2/c1-7(2,3)5(4-8)6(9)10/h5H,1-3H3,(H,9,10)/p-1
InChI key:InChIKey=BFNYNEMRWHFIMR-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(CC#N)=O
Synonyms:
  • 1,1-Dimethylethyl cyanoacetate
  • 2-Cyano-3,3-Dimethylbutanoate
  • Acetic acid, 2-cyano-, 1,1-dimethylethyl ester
  • Acetic acid, cyano-, 1,1-dimethylethyl ester
  • Acetic acid, cyano-, tert-butyl ester
  • Cyanoacetic acid tert-butyl ester
  • Cyanoaceticacidbutylester
  • NSC 1072
  • Tert-Butyl 2-Cyanoacetate
  • t-Butyl cyanoacetate:
  • See more synonyms
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