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

CAS Registry Number®

951259-25-9
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CAS Name

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

Molecular Formula

C17H30BNO4

Molecular Mass

323.24

Cite this Page

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,7-tetrahydroazepine-1-carboxylic acid tert-butyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=951259-25-9 (retrieved 2024-07-26) (CAS RN: 951259-25-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    56.3-57.9 °C

Source(s)

Other Names and Identifiers

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

InChIKey

InChIKey=IGCLFRZDEQPRFX-UHFFFAOYSA-N

SMILES

CC1(C)OB(OC1(C)C)C2=CCN(C(OC(C)(C)C)=O)CCC2

Canonical SMILES

O=C(OC(C)(C)C)N1CC=C(B2OC(C)(C)C(O2)(C)C)CCC1

Other Names for this Substance

  • 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