CAS Registry Number: 913835-81-1

Name:

1H-​Indole-​1-​carboxylic acid, 2-​borono-​7-​methoxy-​, 1-​(1,​1-​dimethylethyl) ester
[7-​Methoxy-​1-​(tert-​butoxycarbonyl)​-​1H-​indol-​2-​yl]​boronic acid 

Chemical Formula: C14H18BNO5
Exact Mass: 291.13
Molecular Weight: 291.11
m/z: 291.13 (100.0%), 290.13 (23.9%), 292.13 (15.0%), 293.13 (2.1%)

InChI: InChI=1S/C14H18BNO5/c1-14(2,3)21-13(17)16-11(15(18)19)8-9-6-5-7-10(20-4)12(9)16/h5-8,18-19H,1-4H3
InChIKey: JYRDIGLHLIDRNE-UHFFFAOYSA-N
Canonical SMILES : B(C1=CC2=C(N1C(=O)OC(C)(C)C)C(=CC=C2)OC)(O)O

Specification

98%

PCT Int. Appl. (2014), WO 2014022744 A1 20140206. 

PCT Int. Appl. (2012), WO 2012139425 A1 20121018.