CAS Registry Number: 213318-44-6

Name:

1H-​Indole-​1-​carboxylic acid, 2-​borono-​, 1-​(1,​1-​dimethylethyl) ester
(1-​Boc-​indol-​2-​yl)​boronic acid; (N-​Boc-​indol-​2-​yl)​boronic acid; 1-​tert-​Butoxycarbonyl-​1H-​indole-​2-​boronic acid; 1-​tert-​Butoxycarbonylindole​-​2-​boronic acid; 1-​tert-​Butyloxycarbonylindo​le-​2-​boronic acid; 1H-​1-​(tert-​Butoxycarbonyl)​indol-​2-​ylboronic acid; N-​tert-​Butoxycarbonylindole​-​2-​boronic acid; [1-​(tert-​Butoxycarbonyl)​-​1H-​indol-​2-​yl]​boronic acid; [1-​(tert-​Butoxycarbonyl)​indol-​2-​yl]​boronic acid; [N-​(tert-​Butoxycarbonyl)​indol-​2-​yl]​boronic acid 

Chemical Formula: C13H16BNO4
Exact Mass: 261.12
Molecular Weight: 261.08
m/z: 261.12 (100.0%), 260.12 (24.0%), 262.12 (13.9%), 263.12 (1.7%)
Elemental Analysis: C, 59.80; H, 6.18; B, 4.14; N, 5.36; O, 24.51

InChI: InChI=1S/C13H16BNO4/c1-13(2,3)19-12(16)15-10-7-5-4-6-9(10)8-11(15)14(17)18/h4-8,17-18H,1-3H3
InChIKey: SVIBPSNFXYUOFT-UHFFFAOYSA-N
Canonical SMILES : B(C1=CC2=CC=CC=C2N1C(=O)OC(C)(C)C)(O)O

Specification

98%

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2. (2) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
3. (3) Kassis, Pamela; Synthesis 2009, (14), P2447-2453 CAPLUS
4. (4) Arrington, Kenneth L.; WO 2003024969 A1 2003 CAPLUS
5. (5) James, Clint A.; Journal of Organic Chemistry 2009, V74(11), P4094-4103 CAPLUS
6. (6) Loetter, Angelique N. C.; Tetrahedron 2007, V63(10), P2263-2274 CAPLUS