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CAS 914349-05-6

:

1,1-Dimethylethyl 4-bromo-3-(hydroxymethyl)-1H-indole-1-carboxylate

Description:
1,1-Dimethylethyl 4-bromo-3-(hydroxymethyl)-1H-indole-1-carboxylate, identified by its CAS number 914349-05-6, is a chemical compound that features an indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. This compound is characterized by the presence of a bromo substituent at the 4-position and a hydroxymethyl group at the 3-position of the indole ring, along with a carboxylate ester functional group. The presence of the tert-butyl group (1,1-dimethylethyl) enhances its lipophilicity, potentially influencing its solubility and biological activity. The compound may exhibit interesting pharmacological properties due to the indole moiety, which is known for its role in various biological systems and as a precursor to many natural products. Its synthesis and reactivity can be influenced by the functional groups present, making it a subject of interest in medicinal chemistry and organic synthesis. Further studies would be necessary to elucidate its specific applications and biological effects.
Formula:C14H16BrNO3
InChI:InChI=1/C14H16BrNO3/c1-14(2,3)19-13(18)16-7-9(8-17)12-10(15)5-4-6-11(12)16/h4-7,17H,8H2,1-3H3
InChI key:InChIKey=QWJQFTZLGZCFNQ-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C(CO)=C1)=C(Br)C=CC2
Synonyms:
  • 1,1-Dimethylethyl 4-bromo-3-(hydroxymethyl)-1H-indole-1-carboxylate
  • 1-Boc-4-Bromo-3-hydroxymethylindole
  • 1H-Indole-1-carboxylic acid, 4-bromo-3-(hydroxymethyl)-, 1,1-dimethylethyl ester
  • N-Boc-4-bromo-1H-indole-3-methanol
  • tert-Butyl 4-bromo-3-(hydroxymethyl)-1H-indole-1-carboxylate
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