CymitQuimica logo

CAS 475102-15-9

:

1-(1,1-Dimethylethyl) 2-borono-5-cyano-1H-indole-1-carboxylate

Description:
1-(1,1-Dimethylethyl) 2-borono-5-cyano-1H-indole-1-carboxylate, with CAS number 475102-15-9, is a chemical compound that features a complex structure incorporating an indole ring, a boronic acid moiety, and a cyano group. This compound is characterized by its potential applications in medicinal chemistry, particularly in the development of pharmaceuticals due to its ability to interact with biological targets. The presence of the boron atom in its structure suggests that it may participate in various chemical reactions, including Suzuki coupling, which is significant in organic synthesis. The cyano group contributes to the compound's reactivity and may influence its electronic properties. Additionally, the tert-butyl group (1,1-dimethylethyl) enhances the compound's lipophilicity, potentially affecting its bioavailability and interaction with biological systems. Overall, this compound exemplifies the intersection of organic chemistry and medicinal applications, showcasing the importance of functional groups in determining chemical behavior and reactivity.
Formula:C14H15BN2O4
InChI:InChI=1S/C14H15BN2O4/c1-14(2,3)21-13(18)17-11-5-4-9(8-16)6-10(11)7-12(17)15(19)20/h4-7,19-20H,1-3H3
InChI key:InChIKey=AJWYBPNMPKTRDV-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C=C1B(O)O)=CC(C#N)=CC2
Synonyms:
  • (1-Boc-5-cyanoindol-2-yl)boronic acid
  • 1-(1,1-Dimethylethyl) 2-borono-5-cyano-1H-indole-1-carboxylate
  • 1H-Indole-1-carboxylic acid, 2-borono-5-cyano-, 1-(1,1-dimethylethyl) ester
  • N-tert-Butoxycarbonyl-5-cyano-1H-indole-2-boronic acid
  • [1-(tert-Butoxycarbonyl)-5-cyanoindol-2-yl]boronic acid
  • [1-(tert-butoxycarbonyl)-5-cyano-1H-indol-2-yl]boronic acid
  • [5-Cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
  • [N-(tert-Butoxycarbonyl)-5-cyanoindol-2-yl]boronic acid
Sort by
Purity (%)
0
100
|
0
|
50
|
90
|
95
|
100
Found 3 products.