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

Basic Information

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CAS Number

879487-10-2

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

36-44 °C

SMILES

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B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C(C)C

InChI

InChI=1S/C12H21BN2O2/c1-9(2)15-8-10(7-14-15)13-16-11(3,4)12(5,6)17-13/h7-9H,1-6H3

InChIKey

OGYYMVGDKVJYSU-UHFFFAOYSA-N

LogP

1.7631999999999999

Topological Polar Surface Area

36.28 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

278

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-Isopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
1-(1-methylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-Pyrazole
1H-Pyrazole, 1-(1-methylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
1-Isopropyl-1H-pyrazole-4-boronic acid pinacol ester
1-Isopropylpyrazole-4-boronic acid pinacol ester
1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
1-(propan-2-yl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
1-Isopropyl-1H-pyrazole-4-boronic acid pinacolester
1-Isopropyl-1h-pyrazole-4-boronic acid, pinacol ester
1-Isopropyl-1H-pyrazol-4-boronic acid, pinacol ester
1-Isoprop
1-(1-Methylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (ACI)
(1-Isopropyl-1H-pyrazol-4-yl)boronic acid pinacol ester
(1-Isopropylpyrazol-4-yl)boronic acid pinacol ester
1-Isopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-pyrazole
1-Propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CS-W008377
J-001720
1-(1-Methylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
1-(propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
1-isopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)1H-pyrazole
65K2Z25CVA
SY044810
AKOS015922610
DB-077148
1-isopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Z1741970851
SB11546
1-isopropyl-4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)-1H-pyrazole
DTXSID50674174
1-Isopropyl-1H-pyrazole-4-boronic acid,pinacol ester

MDL Number

MFCD11867881

Customs Code

2934999090

FAQ

What regulatory guidelines apply to 1-Isopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CAS: 879487-10-2)?

The compound is subject to the REACH regulations in the European Union, requiring registration if used above a certain tonnage threshold. Additionally, the GHS classification must be considered for labeling and safety data sheets. In the US, the FDA and EPA may have specific requirements for its use in certain applications, such as pharmaceuticals or pesticides.

Are there alternatives to 1-Isopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CAS: 879487-10-2) in synthesis?

Alternative reagents such as 1-isopropyl-4-iodopyrazole or 1-isopropyl-4-bromopyrazole can be used as substitutes depending on the desired reaction outcome. These alternatives may offer similar functionality but with different reactivity profiles.

What is the market or research trend for 1-Isopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CAS: 879487-10-2)?

The compound is gaining interest in the pharmaceutical and agrochemical industries due to its potential in catalysis and as a building block for complex molecules. Research trends include its use in boronate ester formation and its incorporation into drug discovery pipelines.

How should waste containing 1-Isopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CAS: 879487-10-2) be handled?

Waste should be collected in appropriate containers and handled according to local regulations. Incineration is a common method for disposal, ensuring complete combustion to minimize environmental impact. Professional waste disposal services are recommended to ensure compliance with environmental protection laws and safety standards.