R,R-endo-lurasidone HCl

Base Information

• Chemical Name: R,R-endo-lurasidone HCl
• CAS No.: 1318074-25-7
• Molecular Formula: C₂₈H₃₆N₄O₂S
• Molecular Weight: 492.685
• Mol file: 1318074-25-7.mol

Synonyms:R,R-endo-lurasidone HCl;(3aR,4R,7S,7aS)-2-[[(1R,2R)-2-[[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexyl]methyl]hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione

Chemical Property of R,R-endo-lurasidone HCl

Chemical Property:

• PSA: 84.99000
• Density: 1.273±0.06 g/cm3 (20 oC 760 Torr)
• LogP: 4.19660
• Storage Temp.: -20°C, Hygroscopic

Purity/Quality:

NLT 98% ^*data from raw suppliers

EndoLurasidoneHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: Endo Lurasidone Hydrochloride is an impurity of L474958.

Technology Process of R,R-endo-lurasidone HCl

There total 32 articles about R,R-endo-lurasidone HCl 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%

C19H26N3S(1+)*CH3O3S(1-) + (3aR,4S,7R,7aS)?4,7?methylene?1H?isoindole?1,3(2H)-dione (14805-29-9,1318027-24-5) → lurasidone (194861-74-0,367514-87-2,1318074-25-7)

Guidance literature:

With potassium carbonate; In water; for 10h; Reflux;

Reference yield: 94.3%

(3aR,7aR)-4’-(benzo[d]isothiazol-3-yl)octahydrospiro[isoindole-2,1’-piperazin]-2-ium methanesulfonate (186204-37-5) + (3aR,4S,7R,7aS)?4,7?methylene?1H?isoindole?1,3(2H)-dione (14805-29-9,1318027-24-5) → lurasidone (194861-74-0,367514-87-2,1318074-25-7)

Guidance literature:

With potassium carbonate; In water; toluene; for 8h; Product distribution / selectivity; Reflux;

Reference yield: 86.35%

(3aR,7aR)-4’-(benzo[d]isothiazol-3-yl)octahydrospiro[isoindole-2,1’-piperazin]-2-ium methanesulfonate (186204-37-5) + endo-bicyclo<2.2.1>heptane-2,3-dicarboximide (6713-41-3,14805-29-9,28871-95-6,1318027-24-5) → [14C]-Lurasidone (194861-74-0,367514-87-2,1318074-25-7)

Guidance literature:

With potassium carbonate; dibenzo-18-crown-6; In toluene; for 12h; Product distribution / selectivity; Reflux;

upstream raw materials:

(3aR,7aR)-4’-(benzo[d]isothiazol-3-yl)octahydrospiro[isoindole-2,1’-piperazin]-2-ium methanesulfonate

(3aR,4S,7R,7aS)?4,7?methylene?1H?isoindole?1,3(2H)-dione

bicyclo[2.2.1]heptane-2-exo-3-exodicarboximide

(1S,2S)-cyclohexane-1,2-dimethanol bis(methanesulfonate)

Downstream raw materials:

(3aR,4S,7R,7aS)-2-(((1R,2R)-2-((4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione tartrate

Lurasidone hydrochloride

lurasidone hydrochloride

(3aR,4S,7R,7aS)-2-{(1R,2R)-2-[4-(1,2-benzisothiazol-3-yl)piperazin-1-ylmethyl]cyclohexylmethyl}hexahydro-1H-4,7-methanisoindol-1,3-dione dihydrochloride

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