3-(Ethoxycarbonyl)-2-methylphenylboronic Acid Pinacol Ester - CAS 1198615-87-0

Name: 3-(Ethoxycarbonyl)-2-methylphenylboronic Acid Pinacol Ester
Brand: BOC Sciences
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Catalog:	BB004674
Product Name:	3-(Ethoxycarbonyl)-2-methylphenylboronic Acid Pinacol Ester
CAS:	1198615-87-0
Synonyms:	2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid ethyl ester; ethyl 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Technical Data

IUPAC Name:	ethyl 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Description:	3-(Ethoxycarbonyl)-2-methylphenylboronic Acid Pinacol Ester (CAS# 1198615-87-0 ) is a useful research chemical.
Molecular Weight:	290.16
Molecular Formula:	C16H23O4B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC=C2)C(=O)OCC)C
InChI:	InChI=1S/C16H23BO4/c1-7-19-14(18)12-9-8-10-13(11(12)2)17-20-15(3,4)16(5,6)21-17/h8-10H,7H2,1-6H3
InChI Key:	JZZPYKYHYBXWEP-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	2.47090

Publication Number	Title	Priority Date
US-2010022601-A1	Sulfonamide compounds and the use	20080605
US-8039514-B2	Sulfonamide compounds and use thereof	20080605

Complexity:	378
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	290.1689394
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	290.1689394
Rotatable Bond Count:	4
Topological Polar Surface Area:	44.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0