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CAS Number: 135884-31-0
(1-(tert-butoxycarbonyl)-1H-pyrrol-2-yl)boronic acid

Structure

(1-(tert-butoxycarbonyl)-1H-pyrrol-2-yl)boronic acid
Name: (1-(tert-butoxycarbonyl)-1H-pyrrol-2-yl)boronic acid
Synonyms:
General Information
Product Number: 135884310

CAS Registry Number: 135884-31-0

Name:

1H-​Pyrrole-​1-​carboxylic acid, 2-​borono-​, 1-​(1,​1-​dimethylethyl) ester
(1-​(tert-​Butoxycarbonyl)​pyrrole-​2-​yl)​boronic acid; (N-​tert-​Butoxycarbonylpyrrol​-​2-​yl)​boronic acid; 1-​(tert-​Butoxycarbonyl)​pyrrole-​2-​boronic acid; 1-​(tert-​butoxycarbonyl)​-​1H-​pyrrol-​2-​ylboronic acid; 1-​tert-​Butoxycarbonyl-​2-​pyrrolylboronic acid; 1-​tert-​Butyloxycarbonyl-​1H-​pyrrole-​2-​boronic acid; 2-​(Dihydroxyboryl)​-​1H-​pyrrole-​1-​carboxylic acid tert-​butyl ester; 2-​(Dihydroxyboryl)​pyrrole-​1-​carboxylic acid tert-​butyl ester; N-​(tert-​Butoxycarbonyl)​pyrrole-​2-​boronic acid; N-​Boc-​pyrrole-​2-​boronic acid; [1-​(Boc)​pyrrol-​2-​yl]​boronic acid; [1-​(tert-​Butoxycarbonyl)​-​11H-​pyrrol-​2-​yl]​boronic acid; [1-​(tert-​Butoxycarbonyl)​-​1H-​pyrrol-​2-​yl]​boronic acid; [1-​[[(1,​1-​Dimethylethyl)​oxy]​carbonyl]​-​1H-​pyrrol-​2-​yl]​boronic acid; tert-​Butyl 2-​(dihydroxyboryl)​pyrrole-​1-​carboxylate; tert-​Butyl 2-​borono-​1H-​pyrrole-​1-​carboxylate 

 

Chemical Formula: C9H14BNO4
Exact Mass: 211.10
Molecular Weight: 211.02
m/z: 211.10 (100.0%), 210.11 (24.8%), 212.10 (10.1%), 211.11 (2.5%), 213.11 (1.3%)
Elemental Analysis: C, 51.22; H, 6.69; B, 5.12; N, 6.64; O, 30.33

 

InChI: InChI=1S/C9H14BNO4/c1-9(2,3)15-8(12)11-6-4-5-7(11)10(13)14/h4-6,13-14H,1-3H3
InChIKey: ZWGMJLNXIVRFRJ-UHFFFAOYSA-N
Canonical SMILES : B(C1=CC=CN1C(=O)OC(C)(C)C)(O)O

Specification

98%

References
  1. (1) Knapp, David M.; Journal of the American Chemical Society 2009, V131(20), P6961-6963 CAPLUS
  2. (2) Klis, Tomasz; Acta Crystallographica, Section E: Structure Reports Online 2008, V64(6), Po1054, o1054/1-o1054/8 CAPLUS
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