6-Trifluoromethyl-pyrimidine-4-carboxylic acid

Base Information

• Chemical Name: 6-Trifluoromethyl-pyrimidine-4-carboxylic acid
• CAS No.: 933721-99-4
• Molecular Formula: C₆H₃F₃N₂O₂
• Molecular Weight: 192.097
• Mol file: 933721-99-4.mol

Synonyms:6-Trifluoromethyl-pyrimidine-4-carboxylic acid;6-(Trifluoromethyl)-4-pyrimidinecarboxylic acid

Chemical Property of 6-Trifluoromethyl-pyrimidine-4-carboxylic acid

Chemical Property:

• Boiling Point: 294.4±40.0 °C(Predicted)
• PKA: 2.38±0.10(Predicted)
• PSA: 63.08000
• Density: 1.575±0.06 g/cm3(Predicted)
• LogP: 1.19360

Purity/Quality:

97% ^*data from raw suppliers

6-Trifluoromethyl-pyrimidine-4-carboxylic acid 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 6-Trifluoromethyl-pyrimidine-4-carboxylic acid

There total 3 articles about 6-Trifluoromethyl-pyrimidine-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: 92.0%

methyl 6-(trifluoromethyl)pyrimidine-4-carboxylate (1353101-38-8) → 6-(trifluoromethyl)pyrimidine-4-carboxylic acid (933721-99-4)

Guidance literature:

With lithium hydroxide monohydrate; In tetrahydrofuran; water; at 60 ℃; for 4h;

Reference yield:

ethyl 6-(trifluoromethyl)pyrimidine-4-carboxylate → 6-(trifluoromethyl)pyrimidine-4-carboxylic acid (933721-99-4)

Guidance literature:

With water monomer; lithium hydroxide monohydrate; In tetrahydrofuran; at 20 ℃; for 1h;

Reference yield:

4-chloro-6-(trifluoromethyl)pyrimidine (37552-81-1) → 6-(trifluoromethyl)pyrimidine-4-carboxylic acid (933721-99-4)

Guidance literature:

Multi-step reaction with 2 steps

1: anhydrous potassium acetate; palladium (II) [1,1'-bis(diphenylphosphanyl)ferrocene] dichloride / 18 h / 60 °C

2: lithium hydroxide monohydrate / water monomer; tetrahydrofuran / 4 h / 60 °C

With palladium (II) [1,1'-bis(diphenylphosphanyl)ferrocene] dichloride; lithium hydroxide monohydrate; anhydrous potassium acetate; In tetrahydrofuran; water monomer;

upstream raw materials:

4-chloro-6-(trifluoromethyl)pyrimidine

methyl 6-(trifluoromethyl)pyrimidine-4-carboxylate