N-[(4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-7a-(isothiazol-5-yl)-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-2-yl]benzamide

Base Information

Chemical Name:N-[(4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-7a-(isothiazol-5-yl)-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-2-yl]benzamide
CAS No.:1463485-55-3
Molecular Formula:C₂₀H₁₇FN₆OS₂
Molecular Weight:440.525
Hs Code.:

Synonyms:N-[(4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-7a-(isothiazol-5-yl)-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-2-yl]benzamide

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Chemical Property of N-[(4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-7a-(isothiazol-5-yl)-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-2-yl]benzamide

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Technology Process of N-[(4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-7a-(isothiazol-5-yl)-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-2-yl]benzamide

There total 8 articles about N-[(4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-7a-(isothiazol-5-yl)-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-2-yl]benzamide 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: 72.0%

: 1463485-12-2
N-[(4aR,7aR)-7a-isothiazol-5-yl-4a,5,6,7-tetrahydro-4H-pyrrolo[3,4-d][1,3]thiazin-2-yl]benzamide hydrochloride

: 62802-42-0
2-chloro-5-fluoropyrimidine

: 1463485-55-3
N-[(4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-7a-(isothiazol-5-yl)-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-2-yl]benzamide

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In 1-methyl-pyrrolidin-2-one; water; at 22 - 100 ℃; for 4h;

Reference yield: 46.0%

: 1463485-11-1
N-[(4aR,7aR)-7a-(isothiazol-5-yl)-4a,5,6,7-tetrahydro-4H-pyrrolo-[3,4-d][1,3]thiazin-2-yl]benzamide

: 62802-42-0
2-chloro-5-fluoropyrimidine

: 1463485-55-3
N-[(4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-7a-(isothiazol-5-yl)-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-2-yl]benzamide

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In 1,4-dioxane; for 3h; Reflux; Inert atmosphere;
DOI:10.1021/acs.jmedchem.1c00489

Reference yield:

: tert-butyl (±)-1-(benzoylcarbamothioyl)-6a-(isothiazol-5-yl)-3,3a,4,6-tetrahydropyrrolo[3,4-c]isoxazole-5-carboxylate

: 1463485-55-3
N-[(4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-7a-(isothiazol-5-yl)-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-2-yl]benzamide

Guidance literature:: Multi-step reaction with 5 steps

1: zinc; acetic acid / 0.75 h / 20 °C

2: 1-chloro-1-(dimethylamino)-2-methyl-1-propene / dichloromethane / 0 - 20 °C / Inert atmosphere

3: Chiralpak IC column / methanol; carbon dioxide / 40 °C / 75007.5 Torr / Resolution of racemate; liquid CO₂

4: trifluoroacetic acid / dichloromethane / 20 °C

5: N-ethyl-N,N-diisopropylamine / 1,4-dioxane / 3 h / Reflux; Inert atmosphere

With 1-chloro-1-(dimethylamino)-2-methyl-1-propene; acetic acid; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; zinc; In 1,4-dioxane; methanol; dichloromethane; carbon dioxide;
DOI:10.1021/acs.jmedchem.1c00489