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CAS 1111637-66-1

:

1,1-Dimethylethyl 5-bromo-2,3-dihydro-3-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate

Description:
1,1-Dimethylethyl 5-bromo-2,3-dihydro-3-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate, identified by its CAS number 1111637-66-1, is a chemical compound characterized by its complex bicyclic structure, which includes a pyrrolopyridine framework. This compound features a carboxylate functional group, contributing to its potential reactivity and solubility in various solvents. The presence of a bromine atom introduces halogen characteristics, which can influence the compound's reactivity and stability. The dimethyl group enhances steric hindrance, potentially affecting its interactions with biological targets. This compound may exhibit interesting pharmacological properties, making it a candidate for further research in medicinal chemistry. Its synthesis and characterization would typically involve standard organic reactions, and its properties can be explored through techniques such as NMR spectroscopy and mass spectrometry. Overall, this compound represents a unique structure that may have applications in drug development or as a chemical probe in biological studies.
Formula:C13H17BrN2O2
InChI:InChI=1S/C13H17BrN2O2/c1-8-7-16(12(17)18-13(2,3)4)11-10(8)5-9(14)6-15-11/h5-6,8H,7H2,1-4H3
InChI key:InChIKey=CJZVQZYRIKGSRJ-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C(C)C1)=CC(Br)=CN2
Synonyms:
  • 1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 5-bromo-2,3-dihydro-3-methyl-, 1,1-dimethylethyl ester
  • 5-Bromo-1-(tert-butoxycarbonyl)-3-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
  • 1,1-Dimethylethyl 5-bromo-2,3-dihydro-3-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
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