1-(4-Chloro-2-(3-Methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethanone

Base Information

• Chemical Name: 1-(4-Chloro-2-(3-Methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethanone
• CAS No.: 1125828-30-9
• Molecular Formula: C12H8ClF3N2O
• Molecular Weight: 288.657
• Hs Code.: 2933199090
• Mol file: 1125828-30-9.mol

Synonyms:1-(4-Chloro-2-(3-Methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethanone;1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethan-1-one

Chemical Property of 1-(4-Chloro-2-(3-Methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethanone

Chemical Property:

• Boiling Point: 365.4±42.0 °C(Predicted)
• PKA: -0.26±0.12(Predicted)
• PSA: 34.89000
• Density: 1.41±0.1 g/cm3(Predicted)
• LogP: 3.57910
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

97% ^*data from raw suppliers

1-(4-Chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Use Description: 1-(4-Chloro-2-(3-Methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethanone is a chemical compound with specific applications in different fields. In the field of agrochemicals and pesticides, it is used as an active ingredient in the formulation of herbicides and insecticides, contributing to weed and pest control in agriculture. Its role is pivotal in protecting crops from invasive plant species and harmful pests, ultimately enhancing crop yield and quality. In the realm of chemical research, 1-(4-Chloro-2-(3-Methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethanone can serve as a valuable tool for the synthesis of pyrazole-based chemicals and pharmaceutical intermediates, potentially leading to the discovery of new drugs or specialty compounds. Its multifaceted utility underscores its significance in advancing agriculture and chemical synthesis, where it plays a crucial role in crop protection and organic chemistry research.

Technology Process of 1-(4-Chloro-2-(3-Methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethanone

There total 2 articles about 1-(4-Chloro-2-(3-Methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethanone 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: 62.0%

ethyl trifluoroacetate, (383-63-1) + 1-(2-bromo-5-chlorophenyl)-3-methyl-1H-pyrazole (1125828-26-3) + 1-(2-bromo-5-chlorophenyl)-5-methyl-1H-pyrazole (1125828-28-5) → 1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethanone (1125828-30-9) + C12H8ClF3N2O (1125828-32-1)

Guidance literature:

1-(2-bromo-5-chlorophenyl)-3-methyl-1H-pyrazole; 1-(2-bromo-5-chlorophenyl)-5-methyl-1H-pyrazole; With isopropylmagnesium chloride; In tetrahydrofuran; at 0 - 10 ℃; for 1.5h;

ethyl trifluoroacetate,; In tetrahydrofuran; at -20 - 0 ℃; for 1.25h;

Reference yield:

3-Methylpyrazole (1453-58-3) + ethyl trifluoroacetate, (383-63-1) + 1-bromo-4-chloro-2-fluorobenzene (1996-29-8) → 1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethanone (1125828-30-9)

Guidance literature:

3-Methylpyrazole; With potassium tert-butylate; In dimethyl sulfoxide; at 50 ℃; for 0.5h;

1-bromo-4-chloro-2-fluorobenzene; In dimethyl sulfoxide; at 50 ℃; for 16h;

ethyl trifluoroacetate,; Further stages;

Reference yield: 94.0%

1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethanone (1125828-30-9) → (R)-1-(4-chloro-2-(3-methyl-1H-pyrazole-1-yl)phenyl)-2,2,2-trifluoroethane-1-ol (1033805-26-3)

Guidance literature:

With potassium formate; dichloro(pentamethylcyclopentadienyl)iridium (III) dimer; (R,R)-N-(p-toluenesulfonyl)-1,2-diphenylethylenediamine; In water; acetonitrile; at 40 ℃; for 2h;

upstream raw materials:

ethyl trifluoroacetate,

1-(2-bromo-5-chlorophenyl)-3-methyl-1H-pyrazole

1-(2-bromo-5-chlorophenyl)-5-methyl-1H-pyrazole

3-Methylpyrazole

Downstream raw materials:

(R)-1-(4-chloro-2-(3-methyl-1H-pyrazole-1-yl)phenyl)-2,2,2-trifluoroethane-1-ol