(2,6-DICHLOROPYRIMIDIN-4-YL)-(4-FLUOROPHENYL)METHANONE

Base Information

• Chemical Name: (2,6-DICHLOROPYRIMIDIN-4-YL)-(4-FLUOROPHENYL)METHANONE
• CAS No.: 1099597-81-5
• Molecular Formula: C11H5Cl2FN2O
• Molecular Weight: 271.078
• Hs Code.: 2933599090
• Mol file: 1099597-81-5.mol

Synonyms:(2,6-DICHLOROPYRIMIDIN-4-YL)-(4-FLUOROPHENYL)METHANONE

Chemical Property of (2,6-DICHLOROPYRIMIDIN-4-YL)-(4-FLUOROPHENYL)METHANONE

Chemical Property:

• Melting Point: 95-99℃
• Boiling Point: 412.6±40.0 °C(Predicted)
• PKA: -7.46±0.32(Predicted)
• PSA: 42.85000
• Density: 1.488±0.06 g/cm3(Predicted)
• LogP: 3.15350
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C

Purity/Quality:

98%min ^*data from raw suppliers

(2,6-Dichloropyrimidin-4-yl)(4-fluorophenyl)methanone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Uses: (2,6-Dichloropyrimidin-4-yl)(4-fluorophenyl)methanone is a useful compound for study of identification of selectrive series of Itk inhibitors.

Technology Process of (2,6-DICHLOROPYRIMIDIN-4-YL)-(4-FLUOROPHENYL)METHANONE

There total 1 articles about (2,6-DICHLOROPYRIMIDIN-4-YL)-(4-FLUOROPHENYL)METHANONE 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: 86.0%

2,6-dichloropyrimidine-4-carboxylic acid methyl ester (6299-85-0) + 4-flourophenylmagnesium bromide (352-13-6) → (2,6-dichloro-4-pyrimidinyl)(4-fluorophenyl)methanone (1099597-81-5)

Guidance literature:

In tetrahydrofuran; diethyl ether; at -78 ℃; Inert atmosphere;

Reference yield: 85.0%

(2,6-dichloro-4-pyrimidinyl)(4-fluorophenyl)methanone (1099597-81-5) → 2,4-dichloro-6-[difluoro(4-fluorophenyl)methyl]pyrimidine (1246034-80-9)

Guidance literature:

With diethylamino-sulfur trifluoride; In dichloromethane; at 20 ℃; for 20h; Inert atmosphere;

Reference yield:

(2,6-dichloro-4-pyrimidinyl)(4-fluorophenyl)methanone (1099597-81-5) → N-{2-chloro-6-[difluoro(4-fluorophenyl)methyl]-4-pyrimidinyl}-1H-indazol-3-amine

Guidance literature:

Multi-step reaction with 2 steps

1: diethylamino-sulfur trifluoride / dichloromethane / 20 h / 20 °C / Inert atmosphere

2: acetonitrile / 17 h / 50 °C

With diethylamino-sulfur trifluoride; In dichloromethane; acetonitrile;

DOI:10.1021/ml400206q

upstream raw materials:

2,6-dichloropyrimidine-4-carboxylic acid methyl ester

4-flourophenylmagnesium bromide

Downstream raw materials:

2,4-dichloro-6-[difluoro(4-fluorophenyl)methyl]pyrimidine

Refernces

• 1、 -. "PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS". Page/Page column 109. . Retrieved 2010/10/03.