2-(4-(trifluoromethyl)phenyl)pyrimidine-5-carbaldehyde

Base Information

• Chemical Name: 2-(4-(trifluoromethyl)phenyl)pyrimidine-5-carbaldehyde
• CAS No.: 1102229-83-3
• Molecular Formula: C12H7F3N2O
• Molecular Weight: 252.196
• Mol file: 1102229-83-3.mol

Synonyms:5-formyl-2-(4-trifluoromethylphenyl)pyrimidine;2-(4-(trifluoromethyl)phenyl)pyrimidine-5-carbaldehyde;

Chemical Property of 2-(4-(trifluoromethyl)phenyl)pyrimidine-5-carbaldehyde

Chemical Property:

• Boiling Point: 252.5±40.0 °C(Predicted)
• PKA: -1.23±0.22(Predicted)
• PSA: 42.85000
• Density: 1.353±0.06 g/cm3(Predicted)
• LogP: 2.97490

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-(4-(trifluoromethyl)phenyl)pyrimidine-5-carbaldehyde

There total 9 articles about 2-(4-(trifluoromethyl)phenyl)pyrimidine-5-carbaldehyde 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: 95.0%

4-trifluoromethylphenylboronic acid (128796-39-4) + 2-(methylsulfanyl)pyrimidine-5-carbaldehyde (90905-31-0) → 2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carbaldehyde (1102229-83-3)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; water; at 90 ℃; for 1h; Microwave irradiation; Inert atmosphere;

DOI:10.1002/ejoc.201403133

Reference yield: 85.9%

(2-(4-(trifluoromethyl)phenyl)pyrimidine-5-yl)methanol (304693-60-5) → 2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carbaldehyde (1102229-83-3)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 20 ℃; for 18h;

Reference yield:

2-dimethylaminormethylene-1,3-bis(dimethylimmonio)propane bis(tetrafluoroborate) + 4-(trifluoromethyl)benzimidamide hydrochloride (38980-96-0) → 2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carbaldehyde (1102229-83-3)

Guidance literature:

With sodium methylate; In ethanol; at 90 ℃; for 1h;

upstream raw materials:

4-CF₃C₆H₄CN

4-(trifluoromethyl)benzimidamide hydrochloride

4-trifluoromethylphenylboronic acid

2-(methylsulfanyl)pyrimidine-5-carbaldehyde

Downstream raw materials:

(+/-)-cyclohexyl{2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl}methanol

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