3-Amino-5-methylphenylboronic Acid Pinacol Ester - CAS 1312535-18-4

Catalog:	BB007276
Product Name:	3-Amino-5-methylphenylboronic Acid Pinacol Ester
CAS:	1312535-18-4
Synonyms:	3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline; 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

Technical Data

Patents

Computed Properties

IUPAC Name:	3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Description:	3-Amino-5-methylphenylboronic Acid Pinacol Ester (CAS# 1312535-18-4 ) is a useful research chemical.
Molecular Weight:	233.11
Molecular Formula:	C13H20NO2B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)N)C
InChI:	InChI=1S/C13H20BNO2/c1-9-6-10(8-11(15)7-9)14-16-12(2,3)13(4,5)17-14/h6-8H,15H2,1-5H3
InChI Key:	RCNTYSJFQLDZAI-UHFFFAOYSA-N
LogP:	2.45760

Publication Number	Title	Priority Date
EP-3082807-B1	Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors	20131220
US-2016311813-A1	Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors	20131220
US-2016326156-A1	Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors	20131220
US-9670196-B2	Thiazole-substituted aminoheteroaryls as Spleen Tyrosine Kinase inhibitors	20131220
US-9783531-B2	Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors	20131220

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Related Functional Groups

Boronic Acids and Esters

[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[766549-26-2]
2-Chloro-4-hydroxyphenylboronic Acid
[355836-10-1]
2-Methoxy-4-(trifluoromethoxy)phenylboronic Acid
[1257724-90-5]
2-(3-Hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
[1646563-27-0]
Methyl 2-(2-((3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)oxy)phenyl)acetate
[922706-40-9]
Fluorene-2-boronic Acid Pinacol Ester

Complexity:	277
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	233.158709
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	233.158709
Rotatable Bond Count:	1
Topological Polar Surface Area:	44.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0