1H-BenziMidazole, 6-(2-chloro-5-fluoro-4-pyriMidinyl)-4-fluoro-2-Methyl-1-(1-Methylethyl)-

Base Information

• Chemical Name: 1H-BenziMidazole, 6-(2-chloro-5-fluoro-4-pyriMidinyl)-4-fluoro-2-Methyl-1-(1-Methylethyl)-
• CAS No.: 1231930-42-9
• Molecular Formula: C15H13ClF2N4
• Molecular Weight: 322.745
• Mol file: 1231930-42-9.mol

Synonyms:1231930-42-9

Chemical Property of 1H-BenziMidazole, 6-(2-chloro-5-fluoro-4-pyriMidinyl)-4-fluoro-2-Methyl-1-(1-Methylethyl)-

Chemical Property:

• Boiling Point: 509.6±45.0 °C(Predicted)
• PKA: 2.32±0.10(Predicted)
• PSA: 43.60000
• Density: 1.42±0.1 g/cm3(Predicted)
• LogP: 4.31420
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

6-(2-Chloro-5-fluoropyrimidin-4-yl)-4-fluoro-2-methyl-1-(propan-2-yl)-1H-1,3-benzodiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 1H-BenziMidazole, 6-(2-chloro-5-fluoro-4-pyriMidinyl)-4-fluoro-2-Methyl-1-(1-Methylethyl)-

There total 14 articles about 1H-BenziMidazole, 6-(2-chloro-5-fluoro-4-pyriMidinyl)-4-fluoro-2-Methyl-1-(1-Methylethyl)- 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%

4-fluoro-1-isopropyl-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)-1H-benzo[d]imidazole (1231930-37-2) + 2,4-dichloro-5-fluoropyrimidine (2927-71-1) → 6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole (1231930-42-9)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In acetonitrile; at 85 ℃; for 8h; Inert atmosphere;

Reference yield: 78.5%

2,4-dichloro-5-fluoropyrimidine (2927-71-1) → 6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole (1231930-42-9)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; sodium carbonate; In 1,4-dioxane; water; at 80 ℃; for 5h; Inert atmosphere;

Reference yield: 78.5%

C17H26BN3O2 + 2,4-dichloro-5-fluoropyrimidine (2927-71-1) → 6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole (1231930-42-9)

Guidance literature:

With trans-bis(triphenylphosphine)palladium dichloride; sodium carbonate; In 1,4-dioxane; water; at 80 ℃; for 5h; Inert atmosphere;

upstream raw materials:

4-fluoro-1-isopropyl-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)-1H-benzo[d]imidazole

2,4-dichloro-5-fluoropyrimidine

N-isopropylacetamide

N-(4-bromo-2,6-difluorophenyl)-N'-isopropylacetamidine

Downstream raw materials:

LY2835219

Refernces

• 1、 -. "A piperazine-containing aminopyrimidine derivative and its application". Paragraph 0124; 0137-0139. . Retrieved 2022/01/12.
• 2、 Borkar, Indrakant,Brewer, Alison Campbell,Buser, Jonas Y.,Campos, Odilon,Fleming, Jeffrey,Forst, Mindy B.,Hansen, Caoimhe,Humenik, Ashley,Jeffery, Stephen,Kokitkar, Prashant B.,Kolis, Stanley P.,Lambertus, Gordon R.,Martinelli, Joseph R.,McCartan, Ciaran,Merritt, Jeremy M.,Moursy, Hossam,Murphy, Donal,Murray, Michael M.,O'Donnell, Kevin,O'Sullivan, Rita,Richardson, Gary A.,Xia, Han. "Hydrogen Evolution from Telescoped Miyaura Borylation and Suzuki Couplings Utilizing Diboron Reagents: Process Safety and Hazard Considerations". . . Retrieved 2021/08/30.