2-(Difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-pyridine - CAS 1193104-53-8

Name: 2-(Difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-pyridine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB067786
Product Name:	2-(Difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-pyridine
CAS:	1193104-53-8
Synonyms:	2-(DIFLUOROMETHYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE; 2-(Difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-pyridine; Pyridine, 2-(difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-; 2-(Difluoromethyl)pyridine-4-boronic Acid Pinacol Ester

Technical Data

IUPAC Name:	2-(difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Description:	2-(Difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-pyridine is used to prepare quinolines and related analogs as sirtuin modulators.
Molecular Weight:	255.07
Molecular Formula:	C12H16BF2NO2
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)C(F)F
InChI:	InChI=1S/C12H16BF2NO2/c1-11(2)12(3,4)18-13(17-11)8-5-6-16-9(7-8)10(14)15/h5-7,10H,1-4H3
InChI Key:	RPTZCVGTIHWNSB-UHFFFAOYSA-N
References:	Vu, C., et al. PCT Int. Appl. (2009), WO 2009134973 A1 20091105.

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	297
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	255.1242152
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	255.1242152
Rotatable Bond Count:	2
Topological Polar Surface Area:	31.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0