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

Basic Information

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CAS Number

844891-04-9

Molecular Formula

C12H21BN2O2

Molecular Weight

236.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

97-101 °C

Boiling Point

335.7℃ at 760 mmHg

Density

1.04

Flash Point

156.8°C

Refractive Index

1.503

SMILES

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Cc1nn(C)c(C)c1B2OC(C)(C)C(C)(C)O2

InChI

InChI=1S/C12H21BN2O2/c1-8-10(9(2)15(7)14-8)13-16-11(3,4)12(5,6)17-13/h1-7H3

InChIKey

IZNGYNMIIVJWSO-UHFFFAOYSA-N

LogP

1.3361399999999997

Topological Polar Surface Area

36.28 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

293

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

1,3,5-Trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
1,3,5-Trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
1,3,5-Trimethyl-1H-Pyrazole-4-Boronic Acid Pinacol Ester
1H-Pyrazole,1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
2-(1,3,5-Trimethylpyrazol-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1,3,5-Trimethylpyrazole-4-boronic Acid Pinacol Ester
2-(1,3,5-Trimethyl-4-pyrazolyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1,3,5-trimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
1,3,5-Trimethyl-1H-pyrazole-4-boronic acid, pinacol ester
PubChem19369
IZNGYNMIIVJWSO-UHFFFAOYSA-N
WT801

MDL Number

MFCD06659062

Customs Code

2934999090

FAQ

What is 1,3,5-Trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CAS: 844891-04-9)?

1,3,5-Trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is a complex organoboron compound. It contains a pyrazole ring with specific alkyl substituents and a dioxaborolane group. This compound is used in organic synthesis, particularly in boron-containing reactions and in the field of medicinal chemistry.

What are the main uses of 1,3,5-Trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CAS: 844891-04-9)?

1,3,5-Trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is primarily used in organic synthesis as a key building block for pharmaceuticals and in the development of new materials. It also plays a role in catalytic reactions and as an intermediate in various chemical processes.

Is 1,3,5-Trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CAS: 844891-04-9) safe?

1,3,5-Trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is generally considered safe under normal handling conditions. However, it should be used in a well-ventilated area, and appropriate personal protective equipment (PPE) such as gloves and goggles should be worn. Avoid contact with eyes and skin.

How should 1,3,5-Trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CAS: 844891-04-9) be stored?

This compound should be stored in a dry, cool, and dark place, away from direct sunlight and heat sources. Keep it in a tightly sealed container to prevent moisture absorption. Store it at room temperature and avoid exposure to temperatures above 30°C to maintain its stability and prevent degradation.