CAS Registry Number: 889676-34-0

Name:

1H-​Indole-​1-​carboxylic acid, 6-​cyano-​, 1,​1-​dimethylethyl ester
1-​Boc-​6-​cyanoindole; N-​tert-​Butoxycarbonyl-​6-​cyanoindole 

Chemical Formula: C14H14N2O2
Exact Mass: 242.11
Molecular Weight: 242.27
m/z: 242.11 (100.0%), 243.11 (15.4%), 244.11 (1.6%)

InChI: InChI=1S/C14H14N2O2/c1-14(2,3)18-13(17)16-7-6-11-5-4-10(9-15)8-12(11)16/h4-8H,1-3H3
InChIKey: DCIWEPSVBLICSS-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)OC(=O)N1C=CC2=C1C=C(C=C2)C#N

Specification

98%

1. (1) Im, G.-Yoon J.; Journal of the American Chemical Society 2010, V132(50), P17933-17944 CAPLUS
2. (2) Kumar, Arvind; Synthesis 2008, (5), P707-710 CAPLUS