3-Methylisoxazole-4-boronic Acid Pinacol Ester - CAS 1421846-79-8

Name: 3-Methylisoxazole-4-boronic Acid Pinacol Ester
Brand: BOC Sciences
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Catalog:	BB009322
Product Name:	3-Methylisoxazole-4-boronic Acid Pinacol Ester
CAS:	1421846-79-8
Synonyms:	3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoxazole; 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole

Technical Data

Patents

Computed Properties

IUPAC Name:	3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole
Description:	3-Methylisoxazole-4-boronic Acid Pinacol Ester (CAS# 1421846-79-8) is a useful research chemical.
Molecular Weight:	209.05
Molecular Formula:	C10H16NO3B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CON=C2C
InChI:	InChI=1S/C10H16BNO3/c1-7-8(6-13-12-7)11-14-9(2,3)10(4,5)15-11/h6H,1-5H3
InChI Key:	ZHXDQNNFDJRLCZ-UHFFFAOYSA-N
LogP:	1.28220

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Related Functional Groups

Boronic Acids and Esters

[1450835-21-8]C8H6BClO2S
(6-Chlorobenzo[b]thiophen-2-yl)boronic acid
[2005430-90-8]C18H30N3O3BSi
3-[[2-(Trimethylsilyl)ethoxy]methyl]-3H-imidazo[4,5-b]pyridine-6-boronic Acid Pinacol Ester
[2247367-07-1]C20H40B2O4
4,4,4',4',5,5,5',5'-octaethyl-2,2'-bi(1,3,2-dioxaborolane)
[1799644-51-1]C25H17BO3
B-spiro[9H-fluorene-9,9'-[9H]xanthen]-2-ylboronic acid
[2244281-69-2]C25H17BO3
B-spiro[9H-Fluorene-9,9'-[9H]xanthen]-4-ylboronic acid
[922706-40-9]C19H21O2B
Fluorene-2-boronic Acid Pinacol Ester

Publication Number	Title	Priority Date
WO-2021068755-A1	Compound having brd4 inhibitory activity, preparation method therefor and use thereof	20191008
US-2020360353-A1	Macrocyclic azolopyridine derivatives as eed and prc2 modulators	20190315
TW-202102495-A	Macrocyclic azolopyridine derivatives as eed and prc2 modulators	20190315
US-10973805-B2	Macrocyclic azolopyridine derivatives as EED and PRC2 modulators	20190315
US-2019194189-A1	1h-pyrazolo[4,3-b]pyridines as pde1 inhibitors	20171220

Complexity:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.1223235
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	209.1223235
Rotatable Bond Count:	1
Topological Polar Surface Area:	44.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0