4-Amino-3-hydroxyphenylboronic Acid Pinacol Ester - CAS 1339927-19-3

Catalog:	BB007851
Product Name:	4-Amino-3-hydroxyphenylboronic Acid Pinacol Ester
CAS:	1339927-19-3
Synonyms:	2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol; 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
Description:	4-Amino-3-hydroxyphenylboronic Acid Pinacol Ester (CAS# 1339927-19-3 ) is a useful research chemical.
Molecular Weight:	235.09
Molecular Formula:	C12H18NO3B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)N)O
InChI:	InChI=1S/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)8-5-6-9(14)10(15)7-8/h5-7,15H,14H2,1-4H3
InChI Key:	OBFRRDXTOAXUDF-UHFFFAOYSA-N
LogP:	1.85480

Publication Number	Title	Priority Date
EP-3119763-A1	Novel 3-indol substituted derivatives, pharmaceutical compositions and methods for use	20140318
US-2015266857-A1	Novel 3-indol substituted derivatives, pharmaceutical compositions and methods for use	20140318
WO-2015140717-A1	Novel 3-indol substituted derivatives, pharmaceutical compositions and methods for use	20140318
WO-2015140717-A9	Novel 3-indol substituted derivatives, pharmaceutical compositions and methods for use	20140318
JP-2015533181-A	Pyrrolotriazinone derivatives as PI3K inhibitors	20121016

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Related Functional Groups

Boronic Acids and Esters

[871126-22-6]
2-Fluoro-4-formylphenylboronic acid
[380430-53-5]
2-Ethoxycarbonylphenylboronic Acid
[163105-90-6]
2-Methoxy-3-pyridylboronic Acid
[881302-73-4]
3,5-Dicarboxyphenylboronic Acid
[1245906-70-0]
Potassium (2-Chloro-5-pyrimidinyl)trifluoroborate
[1450835-21-8]
(6-Chlorobenzo[b]thiophen-2-yl)boronic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	280
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	235.1379736
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	235.1379736
Rotatable Bond Count:	1
Topological Polar Surface Area:	64.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0