(E)-(3-Methoxystyryl)boronic Acid Pinacol Ester - CAS 871125-68-7

Name: (E)-(3-Methoxystyryl)boronic Acid Pinacol Ester
Brand: BOC Sciences
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Catalog:	BB038258
Product Name:	(E)-(3-Methoxystyryl)boronic Acid Pinacol Ester
CAS:	871125-68-7
Synonyms:	2-[(E)-2-(3-methoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-[(E)-2-(3-methoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Technical Data

IUPAC Name:	2-[(E)-2-(3-methoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Description:	(E)-(3-Methoxystyryl)boronic Acid Pinacol Ester (CAS# 871125-68-7 ) is a useful research chemical.
Molecular Weight:	260.14
Molecular Formula:	C15H21O3B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C=CC2=CC(=CC=C2)OC
InChI:	InChI=1S/C15H21BO3/c1-14(2)15(3,4)19-16(18-14)10-9-12-7-6-8-13(11-12)17-5/h6-11H,1-5H3/b10-9+
InChI Key:	MYKJZXRWDIWMDR-MDZDMXLPSA-N
Boiling Point:	313.5 °C at 760 mmHg
Melting Point:	36-42 °C (lit.)
Flash Point:	230.0 °F - closed cup
Purity:	96 %
Density:	1.02 g/cm³
LogP:	3.33980

Publication Number	Title	Priority Date
US-2019071450-A1	Bicyclic compounds for diagnosis and therapy	20160311
US-2020299305-A1	Bicyclic compounds for diagnosis and therapy	20160311
AU-2007291575-A1	Pyrrolo isoquinolines as kinase inhibitors	20060830
AU-2007291575-B2	Pyrrolo isoquinolines as kinase inhibitors	20060830
CA-2660980-A1	Pyrrolo isoquinolines as kinase inhibitors	20060830

Complexity:	322
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	260.1583747
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	260.1583747
Rotatable Bond Count:	3
Topological Polar Surface Area:	27.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0