1,1-Dimethylethyl 6-fluoro-3,4-dihydro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2(1H)-isoquinolinecarboxylate

CAS Registry Number®

1246210-07-0
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CAS Name

1,1-Dimethylethyl 6-fluoro-3,4-dihydro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2(1H)-isoquinolinecarboxylate

Molecular Formula

C20H29BFNO4

Molecular Mass

377.26

Cite this Page

1,1-Dimethylethyl 6-fluoro-3,4-dihydro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2(1H)-isoquinolinecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1246210-07-0 (retrieved 2024-08-31) (CAS RN: 1246210-07-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H29BFNO4/c1-18(2,3)25-17(24)23-9-8-13-11-16(22)15(10-14(13)12-23)21-26-19(4,5)20(6,7)27-21/h10-11H,8-9,12H2,1-7H3

InChIKey

InChIKey=OYMMTUNJPXPGLY-UHFFFAOYSA-N

SMILES

FC1=C(B2OC(C)(C)C(C)(C)O2)C=C3C(=C1)CCN(C(OC(C)(C)C)=O)C3

Canonical SMILES

O=C(OC(C)(C)C)N1CC2=CC(B3OC(C)(C)C(O3)(C)C)=C(F)C=C2CC1

Other Names for this Substance

  • 2(1H)-Isoquinolinecarboxylic acid, 6-fluoro-3,4-dihydro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 6-fluoro-3,4-dihydro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2(1H)-isoquinolinecarboxylate