2-(4-Chloro-2-methoxy-6-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane - CAS 1207961-49-6

Catalog:	BB070450
Product Name:	2-(4-Chloro-2-methoxy-6-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS:	1207961-49-6
Synonyms:	2-(4-chloro-2-methoxy-6-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; (4-Chloro-2-methoxy-6-methylphenyl)boronic acid pinacol ester; 2-(4-CHLORO-2-METHOXY-6-METHYL-PHENYL)-4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLANE

Technical Data

IUPAC Name:	2-(4-chloro-2-methoxy-6-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Description:	2-(4-Chloro-2-methoxy-6-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is an intermediate in the preparation of B-(4-Chloro-2-hydroxy-6-methylphenyl)boronic Acid (CAT# C231800), which can be useful in the preparation of orally bioavailable pyrrolodinopyrimidine- containing inhibitors of heat shock protein 90 (Hsp90) as potential antitumor agents.
Molecular Weight:	282.57
Molecular Formula:	C14H20BClO3
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2C)Cl)OC
InChI:	InChI=1S/C14H20BClO3/c1-9-7-10(16)8-11(17-6)12(9)15-18-13(2,3)14(4,5)19-15/h7-8H,1-6H3
InChI Key:	KGUUEDHYGGLXHK-UHFFFAOYSA-N
References:	Zehnder, L., et al. J. Med. Chem., 54, 3368 (2011); Kung, P., et al. PCT Int. Appl., 94pp. (2010).

Complexity:	319
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	282.1194024
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	282.1194024
Rotatable Bond Count:	2
Topological Polar Surface Area:	27.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0