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CAS Number: 878194-91-3
3-hydroxy-2,3-dimethylbutan-2-yl hydrogen (4-cyanopyridin-3-yl)boronate

Structure

 3-hydroxy-2,3-dimethylbutan-2-yl hydrogen (4-cyanopyridin-3-yl)boronate
Name: 3-hydroxy-2,3-dimethylbutan-2-yl hydrogen (4-cyanopyridin-3-yl)boronate
Synonyms:
General Information
Product Number: 878194913

CAS Registry Number 878194-91-3
Name:
4-?Pyridinecarbonitrile?, 3-?(4,?4,?5,?5-?tetramethyl-?1,?3,?2-?dioxaborolan-?2-?yl)?-
(4-Cyanopyridin-3-yl)boronic acid pinacol ester
4-Cyanopyridine-3-boronic acid pinacol ester

 

Chemical Formula: C12H17BN2O3
Exact Mass: 248.13
Molecular Weight: 248.09
m/z: 248.13 (100.0%), 247.14 (24.8%), 249.14 (13.6%), 248.14 (3.3%), 250.14 (1.5%)

 

InChI:InChI=1S/C12H15BN2O2/c1-11(2)12(3,4)17-13(16-11)10-8-15-6-5-9(10)7-14/h5-6,8H,1-4H3

InChI Key:DQQFRFWEPQBNEN-UHFFFAOYSA-N

Canonical SMILES:B1(OC(C(O1)(C)C)(C)C)C2=C(C=CN=C2)C#N

 

Thermal Properties Value Condition Note
Melting Point 102 °C   (1)CAS

Specification

98%
References
  1. (1) Cailly, Thomas; Synthesis 2007, (20), P3247-3251 CAPLUS
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