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CAS 953411-04-6

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1-(1,1-Dimethylethyl) 4-[[bis(1-methylethyl)amino]carbonyl]-2-borono-1H-indole-1-carboxylate

Description:
1-(1,1-Dimethylethyl) 4-[[bis(1-methylethyl)amino]carbonyl]-2-borono-1H-indole-1-carboxylate, with CAS number 953411-04-6, is a complex organic compound characterized by its unique structural features. It contains an indole ring, which is a bicyclic structure known for its presence in many biologically active compounds. The presence of a boron atom in its structure suggests potential applications in medicinal chemistry, particularly in drug design and development. The compound also features a carboxylate group, which can influence its solubility and reactivity. The tert-butyl and isopropyl groups contribute to its steric bulk, potentially affecting its interaction with biological targets. Additionally, the presence of amino groups indicates that it may participate in hydrogen bonding, which is crucial for biological activity. Overall, this compound's intricate structure and functional groups suggest it may exhibit interesting chemical properties and biological activities, making it a subject of interest in research and development within the fields of organic and medicinal chemistry.
Formula:C20H29BN2O5
InChI:InChI=1S/C20H29BN2O5/c1-12(2)22(13(3)4)18(24)14-9-8-10-16-15(14)11-17(21(26)27)23(16)19(25)28-20(5,6)7/h8-13,26-27H,1-7H3
InChI key:InChIKey=ZPALGJNKSRRODE-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C=C1B(O)O)=C(C(N(C(C)C)C(C)C)=O)C=CC2
Synonyms:
  • 1-(1,1-Dimethylethyl) 4-[[bis(1-methylethyl)amino]carbonyl]-2-borono-1H-indole-1-carboxylate
  • 1H-Indole-1-carboxylic acid, 4-[[bis(1-methylethyl)amino]carbonyl]-2-borono-, 1-(1,1-dimethylethyl) ester
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