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4-Amino-3,5-difluorophenylboronic Acid Pinacol Ester

4-Amino-3,5-difluorophenylboronic Acid Pinacol Ester - CAS 939968-08-8

Name: 4-Amino-3,5-difluorophenylboronic Acid Pinacol Ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB041158
Product Name:	4-Amino-3,5-difluorophenylboronic Acid Pinacol Ester
CAS:	939968-08-8
Synonyms:	2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline; 2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

Technical Data

Patents

Computed Properties

IUPAC Name:	2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Description:	4-Amino-3,5-difluorophenylboronic Acid Pinacol Ester (CAS# 939968-08-8) is a useful research chemical.
Molecular Weight:	255.07
Molecular Formula:	C12H16F2NO2B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)F)N)F
InChI:	InChI=1S/C12H16BF2NO2/c1-11(2)12(3,4)18-13(17-11)7-5-8(14)10(16)9(15)6-7/h5-6H,16H2,1-4H3
InChI Key:	JGOZEXIYNJERIP-UHFFFAOYSA-N
LogP:	2.42740

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Related Functional Groups

Boronic Acids and Esters

[2454490-85-6]C16H17BF2O2
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[380430-53-5]C9H11O4B
2-Ethoxycarbonylphenylboronic Acid
[163105-90-6]C6H8NO3B
2-Methoxy-3-pyridylboronic Acid
[881302-73-4]C8H7O6B
3,5-Dicarboxyphenylboronic Acid
[10365-98-7]C7H9BO3
3-Methoxybenzeneboronic Acid
[364044-44-0]C12H10ClO2B
4'-Chloro-4-biphenylboronic Acid

Publication Number	Title	Priority Date
WO-2021011722-A1	Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto	20190717
WO-2020142612-A1	Pyrido-pyrimidinone and pteridinone compounds as inhibitors of endoribonuclease inositol requiring enzyme i (ire i alpha) for the treatment of cancer diseases.	20190103
TW-202039466-A	Pyrido-pyrimidinone and pteridinone compounds and methods of use	20190103
CN-113508115-A	Pyridopyrimidinone and pteridinone compounds as inhibitors of endoribonuclease inositol requiring enzyme I (IRE I A) for the treatment of cancer diseases	20190103
WO-2018121228-A1	Compound having axl inhibitory activity, preparation method therefor and use thereof	20161228

Complexity:	299
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	255.1242152
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	255.1242152
Rotatable Bond Count:	1
Topological Polar Surface Area:	44.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0