2-Isopropylpyridin-4-yl-boronic Acid Pinacol Ester - CAS 1352796-58-7

Catalog:	BB056328
Product Name:	2-Isopropylpyridin-4-yl-boronic Acid Pinacol Ester
CAS:	1352796-58-7
Synonyms:	2-(1-Methylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-pyridine

Technical Data

IUPAC Name:	2-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Description:	2-Isopropylpyridin-4-yl-boronic Acid Pinacol Ester is used in preparation of thioacetate compounds as URAT-1 agonists useful in the treatment of diseases assocd. with aberrant levels of uric acid.
Molecular Weight:	247.14
Molecular Formula:	C14H22BNO2
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)C(C)C
InChI:	InChI=1S/C14H22BNO2/c1-10(2)12-9-11(7-8-16-12)15-17-13(3,4)14(5,6)18-15/h7-10H,1-6H3
InChI Key:	AIZONPDASNPSJU-UHFFFAOYSA-N
References:	Ouk, S., et al. PCT Int. Appl. (2011), WO 2011159839 A2 20111222.

Complexity:	288
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	247.1743591
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	247.1743591
Rotatable Bond Count:	2
Topological Polar Surface Area:	31.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0