194861-74-0

Basic information

• Product Name: (3aR,4R,7S,7aS)-2-{(1R,2R)-2-[4-(1,2-benzisothiazol-3-yl)piperazin-1-ylMethyl]cyclohexylMethyl}hexahydro-4,7-Methano-2H-isoindole-1,3-dione hydrochloride
• Synonyms: (3aR,4R,7S,7aS)-2-{(1R,2R)-2-[4-(1,2-benzisothiazol-3-yl)piperazin-1-ylMethyl]cyclohexylMethyl}hexahydro-4,7-Methano-2H-isoindole-1,3-dione hydrochloride;(3aR,4R,7S,7aS)-2-(((1R,2R)-2-((4-(benzo[d]isothiazol-3-yl) piperazin-1-yl)methyl)cyclohexyl)methyl)-3a,4,7,7a-tetrahydro- 1H-4,7-methanoisoindole-1,3(2H)-dione
• CAS NO: 194861-74-0
• Molecular Formula: C28H37ClN4O2S
• Molecular Weight: 529.13698
• EINECS: -0
• Mol File: 194861-74-0.mol
• Article Data: 20

Chemical Properties

• Appearance: /
• CAS DataBase Reference: (3aR,4R,7S,7aS)-2-{(1R,2R)-2-[4-(1,2-benzisothiazol-3-yl)piperazin-1-ylMethyl]cyclohexylMethyl}hexahydro-4,7-Methano-2H-isoindole-1,3-dione hydrochloride(CAS DataBase Reference)
• NIST Chemistry Reference: (3aR,4R,7S,7aS)-2-{(1R,2R)-2-[4-(1,2-benzisothiazol-3-yl)piperazin-1-ylMethyl]cyclohexylMethyl}hexahydro-4,7-Methano-2H-isoindole-1,3-dione hydrochloride(194861-74-0)
• EPA Substance Registry System: (3aR,4R,7S,7aS)-2-{(1R,2R)-2-[4-(1,2-benzisothiazol-3-yl)piperazin-1-ylMethyl]cyclohexylMethyl}hexahydro-4,7-Methano-2H-isoindole-1,3-dione hydrochloride(194861-74-0)

Safety Data

• Hazardous Substances Data: 194861-74-0(Hazardous Substances Data)

Usage

General Description

The chemical "(3aR,4R,7S,7aS)-2-{(1R,2R)-2-[4-(1,2-benzisothiazol-3-yl)piperazin-1-ylMethyl]cyclohexylMethyl}hexahydro-4,7-Methano-2H-isoindole-1,3-dione hydrochloride" is a complex organic compound with a cyclohexylmethyl group and a piperazinylmethyl group attached to an isoindole-1,3-dione ring. The hydrochloride salt form of the compound makes it suitable for pharmaceutical applications. This chemical may have potential use in medicine, specifically in the treatment of certain diseases or conditions. Its precise mechanism of action, pharmacological properties, and potential therapeutic uses would need to be further researched and studied.

Upstream product

• 14805-27-7 bicyclo[2.2.1]heptane-2-exo-3-exodicarboximide 
• 173658-50-9 (1S,2S)-cyclohexane-1,2-dimethanol bis(methanesulfonate) 
• 3205-34-3 (1S,2S)-(–)-1,2-di(hydroxymethyl)cyclohexane 
• 194861-74-0 C₂₈H₃₆N₄O₂S 
• 194861-74-0 C₂₈H₃₆N₄O₂S 
• 14805-29-9 (3aR,4S,7R,7aS)?4,7?methylene?1H?isoindole?1,3(2H)-dione 
• 87691-87-0 3-(1-piperazinyl)-1,2-benzisothiazole 
• 14166-28-0 exo-bicyclo[2.2.1]heptane-2,3-dicarboxylic anhydride 
• 1318027-24-5 bicyclo[2.2.1]heptane-2-exo-3-exo-dicarboximide 
• 2746-19-2 (1R,2R,6S,7S)-4-oxa-tricyclo[5.2.1.0^2,6]dec-8-ene-3,5-dione 
• 542-92-7 cyclopenta-1,3-diene 
• 186204-37-5 (3aR,7aR)-4’-(benzo[d]isothiazol-3-yl)octahydrospiro[isoindole-2,1’-piperazin]-2-ium methanesulfonate 
• 6713-41-3 endo-bicyclo<2.2.1>heptane-2,3-dicarboximide 
• 133070-64-1 3-(piperazin-1-yl)-1,2-benzisothiazole hydrochloride 

Downstream Products

• 139563-25-0 Lurasidone hydrochloride 
• 139563-20-5 (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 
• 139563-25-0 (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 
• 139563-25-0 lurasidone hydrochloride 

Relevant articles and documents

Preparation method of lurasidone

The invention relates to a preparation method of lurasidone. The preparation method comprises the following steps of: reacting a compound as shown in a formula (I) with a compound as shown in a formula (II) under the action of an organic solvent A and a catalyst A, and performing quenching with a weak base solution to obtain a lurasidone crude product. According to the preparation method, the organic solvent A is selected from N-methyl pyrrolidone, N, N-dimethylformamide or a mixture of N-methyl pyrrolidone and N, N-dimethylformamide, preferably N-methyl pyrrolidone; the catalyst A is cesium carbonate; the weak base solution is selected from a cesium carbonate solution, a potassium carbonate solution or a sodium carbonate solution, preferably the potassium carbonate solution. The method is simple to operate, high in product yield, short in reaction time, low in cost and suitable for actual industrial production.

Lurasidone key intermediate preparation method

The present invention relates to a lurasidone key intermediate preparation method, and belongs to the technical field of compound synthesis. According to the method, when 4,-(1,2-benzisothiazol-3-yl)-(3aR,7aR)-octahydrospiro(2H-isoindole-2,1-piperazine)methanesulfonate is generated, 4-(1,2-benzisothiazol-3-yl)-1-piperazine is adopted as a raw material, the 4-(1,2-benzisothiazol-3-yl)-1-piperazine, (1R,2R)-1,2-bis(methanesulfonyloxymethyl)cyclohexane and potassium carbonate are subjected to a reaction in a solvent toluene, and a cyclodextrin phase transfer catalyst is added to the reaction system. According to the present invention, by using the cyclodextrin as the phase transfer catalyst, the incomplete reaction problem is solved, and the yield is substantially improved.

AN IMPROVED PROCESS FOR THE PREPARATION OF LURASIDONE BASE AND ITS SALT

The present invention relates to an industrially feasible process for preparation of substantially pure Lurasidone base of formula Ia and its conversion to pharmaceutically acceptable salts such as hydrochloride salt and the like in significantly higher yield.