1H-Pyrazole-1-acetic acid, 4-broMo-α,α-diMethyl-, ethyl ester

Base Information

• Chemical Name: 1H-Pyrazole-1-acetic acid, 4-broMo-α,α-diMethyl-, ethyl ester
• CAS No.: 1040377-17-0
• Molecular Formula: C9H13BrN2O2
• Molecular Weight: 261.118
• Mol file: 1040377-17-0.mol

Synonyms:1H-Pyrazole-1-acetic acid, 4-broMo-α,α-diMethyl-, ethyl ester;2-(4-Bromo-pyrazol-1-yl)-2-methyl-propionic acid ethyl ester

Chemical Property of 1H-Pyrazole-1-acetic acid, 4-broMo-α,α-diMethyl-, ethyl ester

Chemical Property:

• Boiling Point: 310.1±22.0 °C(Predicted)
• PKA: -0.35±0.10(Predicted)
• PSA: 44.12000
• Density: 1.42±0.1 g/cm3(Predicted)
• LogP: 1.94380

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Bromo-pyrazol-1-yl)-2-methyl-propionicAcidEthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1H-Pyrazole-1-acetic acid, 4-broMo-α,α-diMethyl-, ethyl ester

There total 1 articles about 1H-Pyrazole-1-acetic acid, 4-broMo-α,α-diMethyl-, ethyl ester 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:

NH-pyrazole (288-13-1) + ethyl 2-bromoisobutyrate (600-00-0) → 4-bromo-1H-pyrazole (2075-45-8) + ethyl 2-(4-bromo-1H-pyrazol-1-yl)-2-methylpropanoate (1040377-17-0) + ethyl 3-(4-bromo-1H-pyrazol-1-yl)-2-methylpropanoate

Guidance literature:

NH-pyrazole; ethyl 2-bromoisobutyrate; With sodium t-butanolate; In N,N-dimethyl-formamide;

With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione;

Reference yield: 42.5%

ethyl 2-(4-bromo-1H-pyrazol-1-yl)-2-methylpropanoate (1040377-17-0) + bis(pinacol)diborane (73183-34-3) → ethyl 2-methyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanoate (1201657-32-0)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In N,N-dimethyl-formamide; at 90 ℃; for 12h;

Reference yield:

ethyl 2-(4-bromo-1H-pyrazol-1-yl)-2-methylpropanoate (1040377-17-0) → ethyl 2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)-1H-pyrazol-1-yl)-2-methylpropanoate (1282514-64-0)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium acetate; XPhos / ethanol / 5 h / 75 °C / Inert atmosphere

2: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium phosphate / tetrahydrofuran; water / 75 °C

With potassium phosphate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate; XPhos; In tetrahydrofuran; ethanol; water; 1: |Miyaura Borylation Reaction / 2: |Suzuki Coupling;

upstream raw materials:

NH-pyrazole

ethyl 2-bromoisobutyrate

Downstream raw materials:

ethyl 2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)-1H-pyrazol-1-yl)-2-methylpropanoate

2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)-1H-pyrazol-1-yl)-2-methylpropanoic acid

taselisib

ethyl 2-methyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanoate

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