tert-Butyl 4-bromo-3,5-dimethyl-1H-pyrazole-1-carboxylate

Base Information

• Chemical Name: tert-Butyl 4-bromo-3,5-dimethyl-1H-pyrazole-1-carboxylate
• CAS No.: 1040276-87-6
• Molecular Formula: C₁₀H₁₅BrN₂O₂
• Molecular Weight: 275.145
• Hs Code.: 2933199090
• Mol file: 1040276-87-6.mol

Synonyms:1-BOC-4-bromo-3,5-dimethylpyrazole;tert-Butyl 4-bromo-3,5-dimethyl-1H-pyrazole-1-carboxylate;4-Bromo-3,5-dimethylpyrazole-1-carboxylic acid tert-butyl ester

Chemical Property of tert-Butyl 4-bromo-3,5-dimethyl-1H-pyrazole-1-carboxylate

Chemical Property:

• Boiling Point: 325.9±34.0 °C(Predicted)
• PKA: -1.94±0.12(Predicted)
• PSA: 44.12000
• Density: 1.38±0.1 g/cm3(Predicted)
• LogP: 3.04560

Purity/Quality:

97% ^*data from raw suppliers

1-BOC-4-bromo-3,5-dimethylpyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of tert-Butyl 4-bromo-3,5-dimethyl-1H-pyrazole-1-carboxylate

There total 3 articles about tert-Butyl 4-bromo-3,5-dimethyl-1H-pyrazole-1-carboxylate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

4-Bromo-3,5-dimethylpyrazole (3398-16-1) + di-tert-butyl dicarbonate (24424-99-5) → tert-butyl 4-bromo-3,5-dimethyl-1H-pyrazole-1-carboxylate (1040276-87-6)

Guidance literature:

With dmap; triethylamine; In tetrahydrofuran; at 20 ℃; for 1h;

DOI:10.1016/j.bmcl.2017.07.004

Reference yield:

acetylacetone (123-54-6,81235-32-7) → tert-butyl 4-bromo-3,5-dimethyl-1H-pyrazole-1-carboxylate (1040276-87-6)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrazine hydrate / ethanol

2: N-Bromosuccinimide / dichloromethane; tetrachloromethane

3: triethylamine; dmap / tetrahydrofuran / 1 h / 20 °C

With dmap; N-Bromosuccinimide; hydrazine hydrate; triethylamine; In tetrahydrofuran; tetrachloromethane; ethanol; dichloromethane;

DOI:10.1016/j.bmcl.2017.07.004

Reference yield:

3,5-dimethyl-1H-pyrazole (67-51-6) → tert-butyl 4-bromo-3,5-dimethyl-1H-pyrazole-1-carboxylate (1040276-87-6)

Guidance literature:

Multi-step reaction with 2 steps

1: N-Bromosuccinimide / dichloromethane; tetrachloromethane

2: triethylamine; dmap / tetrahydrofuran / 1 h / 20 °C

With dmap; N-Bromosuccinimide; triethylamine; In tetrahydrofuran; tetrachloromethane; dichloromethane;

DOI:10.1016/j.bmcl.2017.07.004

upstream raw materials:

acetylacetone

3,5-dimethyl-1H-pyrazole

4-Bromo-3,5-dimethylpyrazole

di-tert-butyl dicarbonate

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