CAS Registry Number 676448-17-2
Name:
1H-​Indole-​1-​carboxylic acid, 4-​bromo-​, 1,​1-​dimethylethyl ester
4-Bromoindole-1-carboxylic Acid tert-Butyl Ester
tert-Butyl 4-bromo-1H-indole-1-carboxylate

Chemical Formula: C13H14BrNO2
Exact Mass: 295.02
Molecular Weight: 296.16
m/z: 295.02 (100.0%), 297.02 (97.3%), 296.02 (14.4%), 298.02 (14.1%), 297.03 (1.4%)

InChI: InChI=1S/C13H14BrNO2/c1-13(2,3)17-12(16)15-8-7-9-10(14)5-4-6-11(9)15/h4-8H,1-3H3
InChIKey: ZGBNKNOAADXGOH-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)OC(=O)N1C=CC2=C1C=CC=C2Br

Specification

98%

1. (1) Zhou, Jiao-Long; Tetrahedron 2009, V65(34), P6877-6881 CAPLUS
2. (2) Seggio, Anne; Synthesis 2009, (21), P3617-3632 CAPLUS
3. (3) Shen, Xiaoqiang; Journal of the American Chemical Society 2010, V132(40), P14076-14078 CAPLUS