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CAS 874841-30-2

:

1,1-Dimethylethyl 5-cyano-2,3-dihydro-1H-indole-1-carboxylate

Description:
1,1-Dimethylethyl 5-cyano-2,3-dihydro-1H-indole-1-carboxylate, identified by its CAS number 874841-30-2, is a chemical compound that features a complex structure characteristic of indole derivatives. This substance typically exhibits a white to off-white solid appearance and is soluble in organic solvents, which is common for many indole-based compounds. The presence of the cyano group contributes to its reactivity and potential applications in organic synthesis. The dimethyl group enhances its steric properties, influencing its interaction with biological targets. This compound may be of interest in medicinal chemistry due to its potential biological activities, including anti-inflammatory or anticancer properties, although specific biological data would need to be referenced for detailed insights. As with many chemical substances, proper handling and safety measures should be observed, given the potential hazards associated with its components. Overall, 1,1-Dimethylethyl 5-cyano-2,3-dihydro-1H-indole-1-carboxylate represents a versatile structure in the realm of organic chemistry.
Formula:C14H16N2O2
InChI:InChI=1S/C14H16N2O2/c1-14(2,3)18-13(17)16-7-6-11-8-10(9-15)4-5-12(11)16/h4-5,8H,6-7H2,1-3H3
InChI key:InChIKey=KDJNHMDZHOBDOJ-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(CC1)=CC(C#N)=CC2
Synonyms:
  • 1,1-Dimethylethyl 5-cyano-2,3-dihydro-1H-indole-1-carboxylate
  • 1H-Indole-1-carboxylic acid, 5-cyano-2,3-dihydro-, 1,1-dimethylethyl ester
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