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CAS 942070-54-4

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1,1-Dimethylethyl 3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate

Description:
1,1-Dimethylethyl 3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate, identified by CAS number 942070-54-4, is a complex organic compound featuring a pyrrolo[2,3-b]pyridine core structure. This compound is characterized by the presence of a carboxylate functional group and two boron-containing dioxaborolane moieties, which contribute to its potential applications in medicinal chemistry and materials science. The presence of the bulky 1,1-dimethylethyl group enhances its steric properties, potentially influencing its reactivity and solubility. The dioxaborolane units are known for their ability to form stable complexes with various substrates, making this compound of interest in the development of boron-based reagents. Additionally, the intricate structure suggests potential for diverse chemical reactivity, including participation in cross-coupling reactions. Overall, this compound exemplifies the intersection of organic synthesis and boron chemistry, with implications for further research and application in various fields.
Formula:C24H36B2N2O6
InChI:InChI=1S/C24H36B2N2O6/c1-20(2,3)30-19(29)28-14-17(26-33-23(8,9)24(10,11)34-26)16-12-15(13-27-18(16)28)25-31-21(4,5)22(6,7)32-25/h12-14H,1-11H3
InChI key:InChIKey=FPUMXGFVYQHELH-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C(=C1)B3OC(C)(C)C(C)(C)O3)=CC(=CN2)B4OC(C)(C)C(C)(C)O4
Synonyms:
  • 1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
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