CAS Registry Number: 893566-74-0

Name:

2(1H)​-​Isoquinolinecarboxyl​ic acid, 6-​bromo-​3,​4-​dihydro-​, 1,​1-​dimethylethyl ester
6-​Bromo-​2-​tert-​butoxycarbonyl-​1,​2,​3,​4-​tetrahydroisoquinoli​ne; 6-​bromo-​3,​4-​dihydro-​1H-​isoquinoline-​2-​carboxylic acid tert-​butyl ester; tert-​Butyl 6-​bromo-​3,​4-​dihydroisoquinoline-​2(1H)​-​carboxylate 

Chemical Formula: C14H18BrNO2
Exact Mass: 311.05
Molecular Weight: 312.20
m/z: 311.05 (100.0%), 313.05 (97.3%), 312.06 (15.4%), 314.05 (15.2%), 313.06 (1.5%), 315.06 (1.1%)

InChI: InChI=1S/C14H18BrNO2/c1-14(2,3)18-13(17)16-7-6-10-8-12(15)5-4-11(10)9-16/h4-5,8H,6-7,9H2,1-3H3
InChIKey: SZIPGDGOBMFCEH-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=C2)Br

Specification

98%

PCT Int. Appl. (2014), WO 2014089324 A1 20140612.                                 

PCT Int. Appl. (2014), WO 2014089280 A1 20140612.