Tetrahydropyran-4-boronic Acid Pinacol Ester - CAS 1131912-76-9

Catalog:	BB003137
Product Name:	Tetrahydropyran-4-boronic Acid Pinacol Ester
CAS:	1131912-76-9
Synonyms:	4,4,5,5-tetramethyl-2-(4-oxanyl)-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-(oxan-4-yl)-1,3,2-dioxaborolane

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Computed Properties

IUPAC Name:	4,4,5,5-tetramethyl-2-(oxan-4-yl)-1,3,2-dioxaborolane
Description:	Tetrahydropyran-4-boronic Acid Pinacol Ester (CAS# 1131912-76-9) is a useful research chemical.
Molecular Weight:	212.09
Molecular Formula:	C11H21O3B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2CCOCC2
InChI:	InChI=1S/C11H21BO3/c1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9/h9H,5-8H2,1-4H3
InChI Key:	NLSMOSUUBUCSPL-UHFFFAOYSA-N
Flash Point:	Not applicable
Appearance:	Liquid
Storage:	2-8 °C
MDL:	MFCD11506065
LogP:	2.25920

Publication Number	Title	Priority Date
WO-2018153365-A1	Substituted fused heteroaryl tricyclic compound as kinase inhibitor and application thereof	20170227
US-2021128535-A1	Substituted Fused Heteroaromatic Tricyclic Compounds as Kinase Inhibitors and The Use Thereof	20170227
US-2020339522-A1	Phenoxymethyl derivatives	20150904

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Related Functional Groups

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GHS Hazard Statement:	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	218
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.1583747
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	212.1583747
Rotatable Bond Count:	1
Topological Polar Surface Area:	27.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0