3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Basic Information

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CAS Number

844501-71-9

Molecular Formula

C9H15BN2O2

Molecular Weight

194.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

105.0 to 109.0 deg-C

Boiling Point

335.3°C at 760 mmHg

Density

1.091

Water Solubility

Insoluble in water.

Flash Point

156.628°C

Refractive Index

1.487

SMILES

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B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2

InChI

InChI=1S/C9H15BN2O2/c1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7/h5-6H,1-4H3,(H,11,12)

InChIKey

KWLOIDOKWUESNM-UHFFFAOYSA-N

LogP

0.7088999999999999

Topological Polar Surface Area

47.14 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

217

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Sensitiveness

Sensitive to air

Synonyms & References

English

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
1H-Pyrazole-3-boronic acid pinacol ester
1H-Pyrazol-3-ylboronic Acid Pinacol Ester
1H-Pyrazole,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
1H-Pyrazole-5-boronic acid pinacol ester
3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE)-PYRAZOLE
C9H15BN2O2
2-(1H-Pyrazol-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
Pyrazole-3-boronic acid pinacol ester
3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
Pyrazole-3-boronic acid, pinacol ester
3-(4,4,5,5-Tetramethyl-1,3,2-dioxabolone)-pyrrazole
1H-Pyrazole, 3-(4
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
T3829
1086111-17-2
KWLOIDOKWUESNM-UHFFFAOYSA-N
DB-059769
AB31572
SY026550
1h-pyrazole boronic acid pinacol ester
1H-Pyrazole,3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
BCP12514
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)-pyrazole, AldrichCPR
1H-PYRAZOLE-5-BORONIC ACID PINACOL ESTER
CS-0149687
SCHEMBL31180
AC-31776
BS-2113

MDL Number

MFCD09743409

FAQ

What is 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CAS: 844501-71-9)?

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is a pyrazole derivative with a tetramethyl-dioxaborolane side chain. It is a colorless or white crystalline solid with a melting point of 135-136°C. This compound is used as an intermediate in organic synthesis and has potential applications in pharmaceuticals and materials science.

What are the main uses of 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CAS: 844501-71-9)?

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is primarily used as a building block in organic synthesis, particularly in the preparation of boron-containing molecules. It finds applications in the pharmaceutical industry for the synthesis of drugs and in materials science for the development of novel materials.

Is 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CAS: 844501-71-9) safe?

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is generally considered safe when handled properly. However, it should be stored away from direct sunlight and in a cool, dry place. Protective gloves and goggles are recommended when working with this compound to prevent skin and eye irritation.

How should 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CAS: 844501-71-9) be stored?

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole should be stored in a tightly sealed container at a temperature below 30°C and away from direct sunlight. It should be kept in a well-ventilated area and stored in a cool, dry place to prevent degradation and ensure safety.