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CAS 951259-25-9

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5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,7-tetrahydroazepine-1-carboxylic acid tert-butyl ester

Description:
The chemical substance known as "5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,7-tetrahydroazepine-1-carboxylic acid tert-butyl ester" with CAS number 951259-25-9 is characterized by its complex structure, which includes a tetrahydroazepine ring and a boron-containing dioxaborolane moiety. This compound features a tert-butyl ester functional group, which enhances its lipophilicity and stability. The presence of the dioxaborolane unit suggests potential applications in organic synthesis and medicinal chemistry, particularly in the context of boron chemistry, where it may serve as a boron source or a reactive intermediate. The azepine ring contributes to the compound's potential biological activity, as azepines are often found in various pharmacologically active compounds. Additionally, the tert-butyl ester group may influence the solubility and reactivity of the molecule, making it suitable for various chemical transformations. Overall, this compound exemplifies the intersection of organic synthesis and medicinal chemistry, with potential applications in drug development and material science.
Formula:C17H30BNO4
InChI:InChI=1S/C17H30BNO4/c1-15(2,3)21-14(20)19-11-8-9-13(10-12-19)18-22-16(4,5)17(6,7)23-18/h10H,8-9,11-12H2,1-7H3
InChI key:InChIKey=IGCLFRZDEQPRFX-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CCN(C(OC(C)(C)C)=O)CCC2
Synonyms:
  • 1H-Azepine-1-carboxylic acid, 2,3,4,7-tetrahydro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
  • 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,7-tetrahydroazepine-1-carboxylic acid tert-butyl ester
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