Basmisanil

Base Information

• Chemical Name: Basmisanil
• CAS No.: 1159600-41-5
• Molecular Formula: C21H20FN3O5S
• Molecular Weight: 445.471
• Mol file: 1159600-41-5.mol

Synonyms:Basmisanil;(1,1-Dioxo-4-thiomorpholinyl)[6-[[3-(4-fluorophenyl)-5-methylisoxazol-4-yl]methoxy]pyridin-3-yl]methanone;RG 1662;RG-1662;RO5186582;Ladarixin

Chemical Property of Basmisanil

Chemical Property:

• Boiling Point: 726.6±60.0 °C(Predicted)
• PKA: 2.07±0.22(Predicted)
• PSA: 110.98000
• Density: 1.388±0.06 g/cm3(Predicted)
• LogP: 3.65240
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly)

Purity/Quality:

98% min ^*data from raw suppliers

Basmisanil ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: Basmisanil is a highly selective GABAAα5 negative allosteric modulator.

Technology Process of Basmisanil

There total 11 articles about Basmisanil 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: 99.7%

6-[3-(4-fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-nicotinic acid (1159600-32-4) + 1,1-dioxothiomorpholine hydrochloride (59801-62-6) → (1,1-dioxo-1λ6-thiomorpholin-4-yl)-{6-[3-(4-fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-pyridin-3-yl}-methanone (1159600-41-5)

Guidance literature:

With dmap; triethylamine; 1,1'-carbonyldiimidazole; In tetrahydrofuran; for 50h; Temperature; Concentration; Reagent/catalyst; Time; Solvent; Reflux;

Reference yield: 86.0%

thiomorpholine 1,1-dioxide (39093-93-1) + 6-[3-(4-fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-nicotinic acid (1159600-32-4) → (1,1-dioxo-1λ6-thiomorpholin-4-yl)-{6-[3-(4-fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-pyridin-3-yl}-methanone (1159600-41-5)

Guidance literature:

6-[3-(4-fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-nicotinic acid; With 1,1'-carbonyldiimidazole; In tetrahydrofuran; at 20 ℃; for 1h;

thiomorpholine 1,1-dioxide; With dmap; triethylamine; In tetrahydrofuran; Reagent/catalyst; Solvent; Time; Temperature; Reflux;

Reference yield: 55.0%

→ (1,1-dioxo-1λ6-thiomorpholin-4-yl)-{6-[3-(4-fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-pyridin-3-yl}-methanone (1159600-41-5)

Guidance literature:

upstream raw materials:

thiomorpholine 1,1-dioxide

6-[3-(4-fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-nicotinic acid

1,1-dioxothiomorpholine hydrochloride

[3-(4-fluoro-phenyl)-5-methyl-isoxazol-4-yl]-methanol

Refernces

• 1、 -. "(1aR,12bS)-8-cyclohexyl-11-fluoro-N-((1-methylcyclopropyl)sulfonyl)-1a-((3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl)carbonyl)-1,1a,2,2b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide for use in treating HCV". Paragraph 0168. . Retrieved 2014/10/29.
• 2、 -. "SOLID FORMS OF 1,L-DIOXO-4-THIOMORPHOLINYL)-[6-[[3(4-FLUOROPHENYL)-5-METHYL-4-ISOXAZOLYL]METHOXY]-3-PYRIDINYL]-METHANONE". Page/Page column 34. . Retrieved 2013/05/09.