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CAS 404888-01-3

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1,1-Dimethylethyl 3-formyl-4-(phenylmethoxy)-1H-indole-1-carboxylate

Description:
1,1-Dimethylethyl 3-formyl-4-(phenylmethoxy)-1H-indole-1-carboxylate, identified by its CAS number 404888-01-3, is a chemical compound that features a complex structure characteristic of indole derivatives. This substance typically exhibits a combination of functional groups, including an aldehyde, ester, and ether, which contribute to its reactivity and potential applications in organic synthesis and medicinal chemistry. The presence of the indole moiety suggests potential biological activity, as indole derivatives are known for their roles in various pharmacological effects. The dimethyl group enhances steric hindrance, which can influence the compound's interaction with biological targets. Additionally, the phenylmethoxy group may provide lipophilicity, affecting solubility and permeability in biological systems. Overall, this compound's unique structural features may make it a candidate for further research in drug development or as a synthetic intermediate in organic chemistry. However, specific properties such as melting point, boiling point, and solubility would require empirical data for precise characterization.
Formula:C21H21NO4
InChI:InChI=1S/C21H21NO4/c1-21(2,3)26-20(24)22-12-16(13-23)19-17(22)10-7-11-18(19)25-14-15-8-5-4-6-9-15/h4-13H,14H2,1-3H3
InChI key:InChIKey=VGERAWRTLSARJZ-UHFFFAOYSA-N
SMILES:O(CC1=CC=CC=C1)C2=C3C(N(C(OC(C)(C)C)=O)C=C3C=O)=CC=C2
Synonyms:
  • 1,1-Dimethylethyl 3-formyl-4-(phenylmethoxy)-1H-indole-1-carboxylate
  • 1-Boc-4-(benzyloxy)indole-3-carboxaldehyde
  • 1-Boc-4-Benzyloxy-3-formylindole
  • 1H-Indole-1-carboxylic acid, 3-formyl-4-(phenylmethoxy)-, 1,1-dimethylethyl ester
  • tert-Butyl 4-(benzyloxy)-3-formyl-1H-indole-1-carboxylate
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