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

InChI

InChI=1S/C9H14BNO3/c1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7/h5-6H,1-4H3

InChIKey

LXCICYRNWIGDQA-UHFFFAOYSA-N

SMILES

O1C=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 Class

13 - Non Combustible Solids

Hazard Classifications

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral

4-ISOXAZOLEBORONIC ACID PINACOL ESTER Usage And Synthesis

Chemical Properties

The 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.

Uses

4-?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(928664-98-6)Related Product Information

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