4-(2-Hydroxy-2-propanyl)phenylboronic Acid - CAS 886593-45-9

Catalog:	BB039133
Product Name:	4-(2-Hydroxy-2-propanyl)phenylboronic Acid
CAS:	886593-45-9
Synonyms:	[4-(2-hydroxypropan-2-yl)phenyl]boronic acid; [4-(2-hydroxypropan-2-yl)phenyl]boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	[4-(2-hydroxypropan-2-yl)phenyl]boronic acid
Description:	4-(2-Hydroxy-2-propanyl)phenylboronic Acid (CAS# 886593-45-9) is a useful research chemical.
Molecular Weight:	180.01
Molecular Formula:	C9H13O3B
Canonical SMILES:	B(C1=CC=C(C=C1)C(C)(C)O)(O)O
InChI:	InChI=1S/C9H13BO3/c1-9(2,11)7-3-5-8(6-4-7)10(12)13/h3-6,11-13H,1-2H3
InChI Key:	DPIDNFWCDMXMDY-UHFFFAOYSA-N
LogP:	-0.40620

Publication Number	Title	Priority Date
WO-2021130638-A1	Diacylglycerol kinase modulating compounds	20191224
WO-2021063967-A1	Novel substituted 6,7-dihydro-5h-benzo[7]annulene compounds, processes for their preparation and therapeutic uses thereof	20191001
WO-2021046315-A2	Inhibitors of encephalitic alphaviruses	20190905
US-2020361939-A1	Modulators of alpha-1 antitrypsin	20190514
CN-111808057-A	Suzuki reaction using alpha-O-alkenylsulfone as electrophile and use thereof	20190410

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Related Functional Groups

Boronic Acids and Esters

[1022092-33-6]
1-(2-Cyanoethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester
[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[871126-22-6]
2-Fluoro-4-formylphenylboronic acid
[163105-90-6]
2-Methoxy-3-pyridylboronic Acid
[364044-44-0]
4'-Chloro-4-biphenylboronic Acid
[850623-36-8]
Potassium (4-Cyanophenyl)trifluoroborate

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.0957744
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	180.0957744
Rotatable Bond Count:	2
Topological Polar Surface Area:	60.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0