5-(2-Hydroxy-2-propyl)-2-methylphenylboronic Acid Pinacol Ester - CAS 1345961-02-5

Name: 5-(2-Hydroxy-2-propyl)-2-methylphenylboronic Acid Pinacol Ester
Brand: BOC Sciences
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Catalog:	BB007963
Product Name:	5-(2-Hydroxy-2-propyl)-2-methylphenylboronic Acid Pinacol Ester
CAS:	1345961-02-5
Synonyms:	2-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-propanol; 2-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol

Technical Data

IUPAC Name:	2-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol
Description:	5-(2-Hydroxy-2-propyl)-2-methylphenylboronic Acid Pinacol Ester (CAS# 1345961-02-5 ) is a useful research chemical.
Molecular Weight:	276.18
Molecular Formula:	C16H25O3B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C(C)(C)O)C
InChI:	InChI=1S/C16H25BO3/c1-11-8-9-12(14(2,3)18)10-13(11)17-19-15(4,5)16(6,7)20-17/h8-10,18H,1-7H3
InChI Key:	MJKWTZQFRNRPFJ-UHFFFAOYSA-N
Storage:	Inert atmosphere, Room Temperature
LogP:	2.52160

Publication Number	Title	Priority Date
US-2020071335-A1	Crystalline forms of a phosphoinositide 3-kinase (pi3k) inhibitor	20180905
US-2019152975-A1	TERTIARY ALCOHOLS AS PI3K-y INHIBITORS	20171018
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US-2013210768-A1	Positive allosteric modulators of mglur2	20100609

Complexity:	349
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	276.1896748
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	276.1896748
Rotatable Bond Count:	2
Topological Polar Surface Area:	38.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0