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CAS 144657-68-1

:

1,1-Dimethylethyl 3-(chloromethyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate

Description:
1,1-Dimethylethyl 3-(chloromethyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate, identified by its CAS number 144657-68-1, is a chemical compound characterized by its complex structure, which includes a pyrrolopyridine core. This compound features a carboxylate functional group, contributing to its potential reactivity and solubility properties. The presence of a chloromethyl group suggests that it may participate in nucleophilic substitution reactions, making it a candidate for further chemical transformations. The tert-butyl group (1,1-dimethylethyl) enhances its steric bulk, which can influence its biological activity and interaction with other molecules. This compound may exhibit interesting pharmacological properties, potentially serving as a lead compound in drug discovery. Its specific characteristics, such as melting point, boiling point, and solubility, would depend on the purity and specific conditions under which it is studied. Overall, the unique structural features of this compound make it a subject of interest in synthetic organic chemistry and medicinal chemistry research.
Formula:C13H15ClN2O2
InChI:InChI=1S/C13H15ClN2O2/c1-13(2,3)18-12(17)16-8-9(7-14)10-5-4-6-15-11(10)16/h4-6,8H,7H2,1-3H3
InChI key:InChIKey=QNZOXNXWZZILHS-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C(CCl)=C1)=CC=CN2
Synonyms:
  • 1-(tert-Butyloxycarbonyl)-3-(chloromethyl)-7-azaindole
  • 1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 3-(chloromethyl)-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 3-(chloromethyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
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