RO4917838 (R enantioMer)

Base Information

• Chemical Name: RO4917838 (R enantioMer)
• CAS No.: 845614-12-2
• Molecular Formula: C₂₁H₂₀F₇N₃O₄S
• Molecular Weight: 543.462
• Mol file: 845614-12-2.mol

Synonyms:Bitopertin (R enantiomer);Piperazine, 1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-4-[5-(methylsulfonyl)-2-[(1R)-2,2,2-trifluoro-1-methylethoxy]benzoyl]-;[4-(3-Fluoro-5-trifluoromethylpyridin-2-yl)piperazin-1-yl][5-Methylsulfonyl-2-[((R)-2,2,2-trifluoro-1-methylethyl)oxy]phenyl]methanone;

Chemical Property of RO4917838 (R enantioMer)

Chemical Property:

• PSA: 88.19000
• LogP: 5.01870

Purity/Quality:

97% ^*data from raw suppliers

BitopertinRenantiomer 95.68% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of RO4917838 (R enantioMer)

There total 1 articles about RO4917838 (R enantioMer) 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: 36.0%

rac-[4-(3-fluoro-5-trifluoromethylpyridin-2-yl)piperazin-1-yl]-[5-methanesulfonyl-2-(2,2,2-trifluoro-1-methylethoxy)phenyl]-methanone → Bitopertin (845614-11-1) + [(R)-4-(3-fluoro-5-trifluoromethylpyridin-2-yl)piperazin-1-yl][5-methanesulfonyl-2-(2,2,2-trifluoro-1-methylethoxy)phenyl]methanone (845614-12-2)

Guidance literature:

With Chiralpack AD column; In n-heptane; isopropyl alcohol; under 11251.1 Torr; Resolution of racemate;

DOI:10.1021/jm100210p