2-Amino-4-cyanophenylboronic Acid Pinacol Ester - CAS 1384855-68-8

Catalog:	BB008764
Product Name:	2-Amino-4-cyanophenylboronic Acid Pinacol Ester
CAS:	1384855-68-8
Synonyms:	3-amino-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile; 3-amino-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	3-amino-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
Description:	2-Amino-4-cyanophenylboronic Acid Pinacol Ester (CAS# 1384855-68-8 ) is a useful research chemical.
Molecular Weight:	244.10
Molecular Formula:	C13H17N2O2B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)C#N)N
InChI:	InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)10-6-5-9(8-15)7-11(10)16/h5-7H,16H2,1-4H3
InChI Key:	TZIDVPJAFFCQAI-UHFFFAOYSA-N
LogP:	2.02088

Publication Number	Title	Priority Date
WO-2020225569-A1	Phenyl-sulfamoyl.benzoyc acids as erap1 modulators	20190509
JP-2017149693-A	Fused pyrimidinone derivatives with autotaxin inhibitory activity	20160226
AU-2012204651-A1	Novel bicyclic compound or salt thereof	20110107
CA-2824013-A1	Novel bicyclic compound or salt thereof	20110107
EP-2662357-A1	Novel bicyclic compound or salt thereof	20110107

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Related Functional Groups

Boronic Acids and Esters

[355836-10-1]
2-Methoxy-4-(trifluoromethoxy)phenylboronic Acid
[470478-90-1]
4-(4-Boc-piperazino)phenylboronic Acid Pinacol Ester
[364044-44-0]
4'-Chloro-4-biphenylboronic Acid
[1245906-70-0]
Potassium (2-Chloro-5-pyrimidinyl)trifluoroborate
[2005430-90-8]
3-[[2-(Trimethylsilyl)ethoxy]methyl]-3H-imidazo[4,5-b]pyridine-6-boronic Acid Pinacol Ester
[1256358-61-8]
3-[(2-Methoxyethoxy)methyl]phenylboronic Acid

Complexity:	358
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	244.138308
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	244.138308
Rotatable Bond Count:	1
Topological Polar Surface Area:	68.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0