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CAS 218772-62-4

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[1-(tert-Butoxycarbonyl)indol-3-yl]acetonitrile

Description:
[1-(tert-Butoxycarbonyl)indol-3-yl]acetonitrile, with the CAS number 218772-62-4, is a chemical compound characterized by its indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. The presence of the tert-butoxycarbonyl (Boc) group indicates that this compound is likely used in organic synthesis, particularly in the protection of amines during chemical reactions. The acetonitrile moiety contributes to its reactivity and solubility properties, making it useful in various synthetic applications. This compound is typically a solid at room temperature and may exhibit moderate to high stability under standard conditions. Its functional groups suggest potential applications in medicinal chemistry and the development of pharmaceuticals, particularly in the synthesis of indole derivatives. As with many organic compounds, handling should be done with care, considering potential toxicity and reactivity. Proper safety protocols should be followed when working with this substance in a laboratory setting.
Formula:C15H16N2O2
InChI:InChI=1/C15H16N2O2/c1-15(2,3)19-14(18)17-10-11(8-9-16)12-6-4-5-7-13(12)17/h4-7,10H,8H2,1-3H3
InChI key:InChIKey=YCQLNYZZVFUWIZ-UHFFFAOYSA-N
SMILES:C(C#N)C=1C=2C(N(C(OC(C)(C)C)=O)C1)=CC=CC2
Synonyms:
  • 1,1-Dimethylethyl 3-(cyanomethyl)-1H-indole-1-carboxylate
  • 1H-Indole-1-carboxylic acid, 3-(cyanomethyl)-, 1,1-dimethylethyl ester
  • tert-butyl 3-(cyanomethyl)-1H-indole-1-carboxylate
  • [1-(tert-Butoxycarbonyl)indol-3-yl]acetonitrile
  • 3-(Cyanomethyl)-1H-indole-1-carboxylic acid tert-butyl ester
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