2-(tert-Butyl)-4-chloro-6-(trifluoromethyl)pyrimidine

Base Information

• Chemical Name: 2-(tert-Butyl)-4-chloro-6-(trifluoromethyl)pyrimidine
• CAS No.: 193611-28-8
• Molecular Formula: C9H10ClF3N2
• Molecular Weight: 238.63700
• DSSTox Substance ID: DTXSID00578754
• Wikidata: Q82469073
• Mol file: 193611-28-8.mol

Synonyms:193611-28-8;2-(tert-Butyl)-4-chloro-6-(trifluoromethyl)pyrimidine;2-tert-butyl-4-chloro-6-(trifluoromethyl)pyrimidine;4-Chloro-2-(1,1-dimethylethyl)-6-(trifluoromethyl)pyrimidine;Pyrimidine, 4-chloro-2-(1,1-dimethylethyl)-6-(trifluoromethyl)-;2-t-Butyl-4-chloro-6-trifluoromethylpyrimidine;SCHEMBL1045304;DTXSID00578754;AKOS022171600;SB58821;A849392;2-TERT-BUTYL-4-CHLORO-6-TRIFLUOROMETHYL-PYRIMIDINE

Chemical Property of 2-(tert-Butyl)-4-chloro-6-(trifluoromethyl)pyrimidine

Chemical Property:

• Vapor Pressure: 0.18mmHg at 25°C
• Boiling Point: 219oC at 760 mmHg
• Flash Point: 86.3oC
• PSA: 25.78000
• Density: 1.269g/cm3
• LogP: 3.44630
• Storage Temp.: 2-8°C
• Solubility.: Chloroform, DCM, DMF
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 238.0484605
• Heavy Atom Count: 15
• Complexity: 224

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-2-(1,1-dimethylethyl)-6-(trifluoromethyl)pyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=NC(=CC(=N1)Cl)C(F)(F)F
• Uses: 4-Chloro-2-(1,1-dimethylethyl)-6-(trifluoromethyl)pyrimidine is an intermediate in the synthesis of ABT 925 Fumerate (A112600) is a dopamine D3 receptor antagonist that is used in the treatment of acute schizophrenia.

Technology Process of 2-(tert-Butyl)-4-chloro-6-(trifluoromethyl)pyrimidine

There total 2 articles about 2-(tert-Butyl)-4-chloro-6-(trifluoromethyl)pyrimidine 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:

2-(1,1-dimethylethyl)-6-trifluoromethylpyrimidin-4-ol (193610-95-6) → 2-t-butyl-4-chloro-6-trifluoromethylpyrimidine (193611-28-8)

Guidance literature:

With thionyl chloride; In dichloromethane; N,N-dimethyl-formamide;

Reference yield:

→ 2-t-butyl-4-chloro-6-trifluoromethylpyrimidine (193611-28-8)

Guidance literature:

Reference yield:

PYRIMIDINE (289-95-2,25247-63-6) + 2-t-butyl-4-chloro-6-trifluoromethylpyrimidine (193611-28-8) + benzyl 2-hydroxy-3-methoxy-3,3-diphenyl-propionate (198078-88-5) → Benzyl 2-(2-tert-butyl-6-trifluoromethyl-4-pyrimidinyloxy)-3-methoxy-3,3-diphenylpropionate (198078-86-3)

Guidance literature:

With NaH; potassium carbonate; In N-methyl-acetamide;

upstream raw materials:

2-(1,1-dimethylethyl)-6-trifluoromethylpyrimidin-4-ol

Downstream raw materials:

Benzyl 2-(2-tert-butyl-6-trifluoromethyl-4-pyrimidinyloxy)-3-methoxy-3,3-diphenylpropionate

2-t-Butyl-4-(1-piperazinyl)-6-trifluoromethylpyrimidine

N-(4-(4-(2-(tert-butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-1-phenylpiperidine-4-carboxamide

1-benzyl-N-(4-(4-(2-(tert-butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)piperidine-4-carboxamide