4-Isoxazoleboronic acid pinacol ester

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4-Isoxazoleboronic acid pinacol ester manufacturers

4-Isoxazoleboronic acid pinacol ester Basic information
Product Name:4-Isoxazoleboronic acid pinacol ester
Synonyms:3-Hydroxy-2,3-diMethylbutan-2-yl hydrogen 1,2-oxazol-4-ylboronate;ISOXAZOL-4-YLBORONIC ACID PINACOL ESTER;3-hydroxy-2,3-dimethylbutan-2-yl hydrogen isoxazol-4-ylboronate;Isoxazole-4-boronic acid pinacol ester;Isoxazole-boronic acid pinacol ester;3-hydroxy-2,3-dimethylbutan-2-yl hydrogen isoxazol-4-y;4-Isoxazoleboronic acid pinacol ester 98%;4-ISOXAZOLEBORONIC ACID PICOL ESTER
CAS:928664-98-6
MF:C9H14BNO3
MW:195.02
EINECS:
Product Categories:Boronate Esters;Boronic Acids and Derivatives;Chemical Synthesis;Heteroaryl Boronate Esters;Organometallic Reagents;Isoxazole;Organoborons
Mol File:928664-98-6.mol
4-Isoxazoleboronic acid pinacol ester Structure
4-Isoxazoleboronic acid pinacol ester Chemical Properties
Melting point 110-115℃
Boiling point 289.9±13.0 °C(Predicted)
density 1.08±0.1 g/cm3(Predicted)
storage temp. 2-8°C
form solid
pka-2.02±0.50(Predicted)
color White to off-white
InChIInChI=1S/C9H14BNO3/c1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7/h5-6H,1-4H3
InChIKeyLXCICYRNWIGDQA-UHFFFAOYSA-N
SMILESO1C=C(B2OC(C)(C)C(C)(C)O2)C=N1
Safety Information
Hazard Codes Xn
Risk Statements 20/21/22
WGK Germany 3
HS Code 29349990
Storage Class13 - Non Combustible Solids
Hazard ClassificationsAcute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
MSDS Information
4-Isoxazoleboronic acid pinacol ester Usage And Synthesis
Chemical PropertiesThe chemical reactivity of 4-isoxazole boronic acid pinacol ester mainly focuses on the boronic acid ester unit in its structure, which can be coupled with aryl halide compounds under the catalytic effect of transition metal palladium, and can also be coupled with organic amines or phenolic compounds under the catalytic effect of metal copper in the Cham-Lan coupling reaction; the isoxazole group in its structure is prone to ring-opening reaction under alkaline conditions.
Uses4-Isoxazoleboronic Acid Pinacol Ester is a reagent used in the preparation of potent and selective in vivo probe (GNE-272) for bromodomains of CBP/EP300 involved in cancer and immune system regulation.
4-Isoxazoleboronic acid pinacol ester Preparation Products And Raw materials
Raw materials4-Iodoisoxazole-->2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane-->Pinacol
Preparation Products2-Pyridylacetonitrile-->5-Bromo-3-cyanoindole-->2-Methylbenzyl cyanide-->4-acetylphenylacetonitrile
Tag:4-Isoxazoleboronic acid pinacol ester(928664-98-6) Related Product Information
isoxazol-3-yl-acetic acid Isoxazole-4-boronicacid 4-Chloro-3-methoxyphenylboronic acid pinacolester 2-[(3-chlorophenyl)Methyl]-4,4,5,5-tetraMethyl-1,3,2-dioxaborolane Ethyl 2-Methyl-3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzoate methyl 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate 2-(2,5-DibroMophenyl)-4,4,5,5-tetraMethyl-1,3,2-dioxaborolane 3-Methoxybenzylboronic acid pinacol ester 3-Isoxazolecarboxylic acid, methyl ester (8CI,9CI) Isoxazol-3-ylboronic acid (isoxazolo[5,4-b]pyridin-3-yl)methanol Isoxazole 3-Isoxazolecarboxylic acid Isoxazolo[5,4-b]pyridin-3-ylamine 5-Isoxazolemethanol Isoxazole-5-carboxylic acid 4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)cyclohex-3-ene-1-carboxylic acid ethyl ester (2-Bromomethylphenyl)boronic acid, pinacol ester