5-(difluoromethyl)-1-methyl-1h-pyrazole-4-carboxylic acid

Base Information

• Chemical Name: 5-(difluoromethyl)-1-methyl-1h-pyrazole-4-carboxylic acid
• CAS No.: 1204298-65-6
• Molecular Formula: C6H6F2N2O2
• Molecular Weight: 176.123
• Hs Code.: 2933199090
• Mol file: 1204298-65-6.mol

Synonyms:5-(difluoromethyl)-1-methyl-1h-pyrazole-4-carboxylic acid;1H-Pyrazole-4-carboxylic acid, 5-(difluoroMethyl)-1-Methyl-

Chemical Property of 5-(difluoromethyl)-1-methyl-1h-pyrazole-4-carboxylic acid

Chemical Property:

• Boiling Point: 315.9±42.0 °C(Predicted)
• PKA: 3.12±0.36(Predicted)
• PSA: 55.12000
• Density: 1.52
• LogP: 1.05590
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

97% ^*data from raw suppliers

5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 5-(Difluoromethyl)-1-methyl-1h-pyrazole-4-carboxylic acid is a useful reagent in the preparation of fluxapyroxad analogs which are anti-fungal agents.

Technology Process of 5-(difluoromethyl)-1-methyl-1h-pyrazole-4-carboxylic acid

There total 6 articles about 5-(difluoromethyl)-1-methyl-1h-pyrazole-4-carboxylic acid 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: 90.1%

methyl-3-(dichloromethyl)-1-methyl-1H-pyrazole-4-carboxylate → 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid (176969-34-9) + 5-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid (1204298-65-6)

Guidance literature:

With 1,3-dimethyl-2-imidazolidinone; hydrogen fluoride; triethylamine; at 125 - 155 ℃; Reagent/catalyst; Temperature; Concentration; Autoclave;

Reference yield:

ethyl-3-(pyrrolidin-1-yl)prop-2-enoate (53927-12-1) + 1,1,2,2-tetrafluoro-N,N-dimethylethan-1-amine (1550-50-1) + methylhydrazine (60-34-4) → 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid (176969-34-9) + 5-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid (1204298-65-6)

Guidance literature:

1,1,2,2-tetrafluoro-N,N-dimethylethan-1-amine; With boron trifluoride diethyl etherate; In 1,4-dioxane; diethyl ether; at 0 - 5 ℃; Inert atmosphere;

ethyl-3-(pyrrolidin-1-yl)prop-2-enoate; With pyridine; In 1,4-dioxane; diethyl ether; at 0 - 5 ℃;

methylhydrazine;

Reference yield:

ethyl 3-(dichloromethyl)-1-methyl-1H-pyrazole-4-carboxylate (851725-87-6) → 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid (176969-34-9) + 5-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid (1204298-65-6)

Guidance literature:

With 1,3-dimethyl-2-imidazolidinone hexadecahydrofluoric acid salt; at 130 - 155 ℃; Reagent/catalyst; Concentration;

upstream raw materials:

(Z)-2-(ethoxymethylene)-4,4-difluoro-3-oxobutanoic acid ethyl ester

methylhydrazine

ethyl-3-(pyrrolidin-1-yl)prop-2-enoate

1,1,2,2-tetrafluoro-N,N-dimethylethan-1-amine