3-(2-Ethoxy-2-oxoethoxy)phenylboronic Acid Pinacol Ester - CAS 850411-07-3

Name: 3-(2-Ethoxy-2-oxoethoxy)phenylboronic Acid Pinacol Ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB037423
Product Name:	3-(2-Ethoxy-2-oxoethoxy)phenylboronic Acid Pinacol Ester
CAS:	850411-07-3
Synonyms:	2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetic acid ethyl ester; ethyl 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetate

Technical Data

IUPAC Name:	ethyl 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetate
Description:	3-(2-Ethoxy-2-oxoethoxy)phenylboronic Acid Pinacol Ester (CAS# 850411-07-3) is a useful research chemical.
Molecular Weight:	306.16
Molecular Formula:	C16H23O5B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)OCC(=O)OCC
InChI:	InChI=1S/C16H23BO5/c1-6-19-14(18)11-20-13-9-7-8-12(10-13)17-21-15(2,3)16(4,5)22-17/h7-10H,6,11H2,1-5H3
InChI Key:	IUEPWIKFOCKVEU-UHFFFAOYSA-N
Boiling Point:	405.1 °C at 760 mmHg
Density:	1.09 g/cm³
LogP:	1.92770

Publication Number	Title	Priority Date
US-2020239476-A1	Gpr35 modulators	20190124
US-11053251-B2	GPR35 modulators	20190124
CA-2802313-A1	1-hydroxyimino-3-phenyl-propanes	20100712
CA-2802313-C	1-hydroxyimino-3-phenyl-propanes	20100712
CN-103153945-B	1-oximido-3-phenyl-propan class	20100712

Complexity:	380
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	306.163854
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	306.163854
Rotatable Bond Count:	6
Topological Polar Surface Area:	54
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0