(7aS,9R,11aS)-11a-benzyl-9-ethyl-7,9-dihydroxy-N-(2-methylpyridin-3-yl)-5,7,7a,8,9,10,11,11a-octahydrodibenzo[c,e]oxepine-3-carboxamide

Base Information

• Chemical Name: (7aS,9R,11aS)-11a-benzyl-9-ethyl-7,9-dihydroxy-N-(2-methylpyridin-3-yl)-5,7,7a,8,9,10,11,11a-octahydrodibenzo[c,e]oxepine-3-carboxamide
• CAS No.: 1400927-04-9
• Molecular Formula: C₃₀H₃₄N₂O₄
• Molecular Weight: 486.611

Synonyms:(7aS,9R,11aS)-11a-benzyl-9-ethyl-7,9-dihydroxy-N-(2-methylpyridin-3-yl)-5,7,7a,8,9,10,11,11a-octahydrodibenzo[c,e]oxepine-3-carboxamide

Chemical Property of (7aS,9R,11aS)-11a-benzyl-9-ethyl-7,9-dihydroxy-N-(2-methylpyridin-3-yl)-5,7,7a,8,9,10,11,11a-octahydrodibenzo[c,e]oxepine-3-carboxamide

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

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Technology Process of (7aS,9R,11aS)-11a-benzyl-9-ethyl-7,9-dihydroxy-N-(2-methylpyridin-3-yl)-5,7,7a,8,9,10,11,11a-octahydrodibenzo[c,e]oxepine-3-carboxamide

There total 11 articles about (7aS,9R,11aS)-11a-benzyl-9-ethyl-7,9-dihydroxy-N-(2-methylpyridin-3-yl)-5,7,7a,8,9,10,11,11a-octahydrodibenzo[c,e]oxepine-3-carboxamide 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%

(4bS,7R,8aR)-4b-benzyl-7-ethyl-7-hydroxy-N-(2-methylpyridin-3-yl)-4b,5,6,7,8,8a-hexahydrophenanthrene-2-carboxamide (1400927-03-8) → (7aS,9R,11aS)-11a-benzyl-9-ethyl-7,9-dihydroxy-N-(2-methylpyridin-3-yl)-5,7,7a,8,9,10,11,11a-octahydrodibenzo[c,e]oxepine-3-carboxamide (1400927-04-9) + 4-((1S,2S,4R)-1-benzyl-4-ethyl-4-hydroxy-2-hydroxymethyl-cyclohexyl)-3-hydroxymethyl-N-(2-methyl-pyridin-3-yl)-benzamide (1400927-05-0)

Guidance literature:

(4bS,7R,8aR)-4b-benzyl-7-ethyl-7-hydroxy-N-(2-methylpyridin-3-yl)-4b,5,6,7,8,8a-hexahydrophenanthrene-2-carboxamide; With ozone; In methanol; dichloromethane; at -78 ℃; for 0.116667h;

In methanol; dichloromethane; at 20 ℃; for 3h;

Reference yield:

(1R,9S,10R)-1-benzyl-5-bromo-10-hydroxy-10-methyl-tricyclo[7.3.1.0(2,7)]trideca-2,4,6-trien-13-one1(R)-benzyl-5-bromo-10(R)-hydroxy-10-methyl-tricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-one (418772-23-3) → (7aS,9R,11aS)-11a-benzyl-9-ethyl-7,9-dihydroxy-N-(2-methylpyridin-3-yl)-5,7,7a,8,9,10,11,11a-octahydrodibenzo[c,e]oxepine-3-carboxamide (1400927-04-9) + 4-((1S,2S,4R)-1-benzyl-4-ethyl-4-hydroxy-2-hydroxymethyl-cyclohexyl)-3-hydroxymethyl-N-(2-methyl-pyridin-3-yl)-benzamide (1400927-05-0)

Guidance literature:

Multi-step reaction with 11 steps

1.1: sodium ethanolate / ethanol / 0.5 h / 80 °C / Industry scale

2.1: triethylamine / dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂ / 15 h / 100 °C / 3102.97 Torr / Inert atmosphere

3.1: hydrogen / 5%-palladium/activated carbon / pyridine; tetrahydrofuran / 2 h / 20 °C / Inert atmosphere

4.1: toluene-4-sulfonic acid; trimethyl orthoformate / dichloromethane / 4 h / Inert atmosphere

5.1: pyridine; potassium permanganate; copper(ll) sulfate pentahydrate / dichloromethane; water / 43 h

6.1: sodium tetrahydroborate / methanol / 0.5 h / 20 °C

7.1: toluene-4-sulfonic acid / toluene / 2.5 h / 60 °C / Molecular sieve

8.1: hydrogenchloride; water / tetrahydrofuran / 42 h

9.1: diethyl ether; tetrahydrofuran / 1.75 h / -78 - -40 °C / Inert atmosphere

10.1: lithium hexamethyldisilazane / toluene; tetrahydrofuran / 0.83 h / 0 - 20 °C / Inert atmosphere

11.1: ozone / dichloromethane; methanol / 0.12 h / -78 °C

11.2: PS-PPh₃ / 3 h / 20 °C

With pyridine; hydrogenchloride; sodium tetrahydroborate; potassium permanganate; copper(ll) sulfate pentahydrate; water; hydrogen; sodium ethanolate; toluene-4-sulfonic acid; ozone; triethylamine; lithium hexamethyldisilazane; trimethyl orthoformate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; 5%-palladium/activated carbon; In tetrahydrofuran; pyridine; methanol; diethyl ether; ethanol; dichloromethane; water; toluene;

Reference yield:

(S)-4a-benzyl-7-bromo-4,4a,9,10-tetrahydrophenanthren-2(3H)-one (1400926-92-2) → (7aS,9R,11aS)-11a-benzyl-9-ethyl-7,9-dihydroxy-N-(2-methylpyridin-3-yl)-5,7,7a,8,9,10,11,11a-octahydrodibenzo[c,e]oxepine-3-carboxamide (1400927-04-9) + 4-((1S,2S,4R)-1-benzyl-4-ethyl-4-hydroxy-2-hydroxymethyl-cyclohexyl)-3-hydroxymethyl-N-(2-methyl-pyridin-3-yl)-benzamide (1400927-05-0)

Guidance literature:

Multi-step reaction with 10 steps

1.1: triethylamine / dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂ / 15 h / 100 °C / 3102.97 Torr / Inert atmosphere

2.1: hydrogen / 5%-palladium/activated carbon / pyridine; tetrahydrofuran / 2 h / 20 °C / Inert atmosphere

3.1: toluene-4-sulfonic acid; trimethyl orthoformate / dichloromethane / 4 h / Inert atmosphere

4.1: pyridine; potassium permanganate; copper(ll) sulfate pentahydrate / dichloromethane; water / 43 h

5.1: sodium tetrahydroborate / methanol / 0.5 h / 20 °C

6.1: toluene-4-sulfonic acid / toluene / 2.5 h / 60 °C / Molecular sieve

7.1: hydrogenchloride; water / tetrahydrofuran / 42 h

8.1: diethyl ether; tetrahydrofuran / 1.75 h / -78 - -40 °C / Inert atmosphere

9.1: lithium hexamethyldisilazane / toluene; tetrahydrofuran / 0.83 h / 0 - 20 °C / Inert atmosphere

10.1: ozone / dichloromethane; methanol / 0.12 h / -78 °C

10.2: PS-PPh₃ / 3 h / 20 °C

With pyridine; hydrogenchloride; sodium tetrahydroborate; potassium permanganate; copper(ll) sulfate pentahydrate; water; hydrogen; toluene-4-sulfonic acid; ozone; triethylamine; lithium hexamethyldisilazane; trimethyl orthoformate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; 5%-palladium/activated carbon; In tetrahydrofuran; pyridine; methanol; diethyl ether; dichloromethane; water; toluene;

upstream raw materials:

(1R,9S,10R)-1-benzyl-5-bromo-10-hydroxy-10-methyl-tricyclo[7.3.1.0(2,7)]trideca-2,4,6-trien-13-one1(R)-benzyl-5-bromo-10(R)-hydroxy-10-methyl-tricyclo[7.3.1.0_2,7]trideca-2,4,6-trien-13-one

(4a'S,10a'S)-methyl 4a'-benzyl-3',4',4a',9',10',10a'-hexahydro-1'H-spiro[[1,3]dioxolane-2,2'-phenanthrene]-7'-carboxylate

(S)-4a-benzyl-7-bromo-4,4a,9,10-tetrahydrophenanthren-2(3H)-one

(4a'S,10a'S)-methyl 4a'-benzyl-9'-oxo-3',4',4a',9',10',10a'-hexahydro-1'H-spiro[[1,3]dioxolane-2,2'-phenanthrene]-7'-carboxylate

Downstream raw materials:

(7aS,9R,11aS)-11a-benzyl-9-ethyl-9-hydroxy-N-(2-methylpyridin-3-yl)-5,7,7a,8,9,10,11,11a-octahydrodibenzo[c,e]oxepine-3-carboxamide

4-((1S,2R,4R)-1-benzyl-4-ethyl-4-hydroxy-2-((methylamino)methyl)cyclohexyl)-3-(hydroxymethyl)-N-(2-methylpyridin-3-yl)benzamide

(7aS,9R,11aS)-11a-benzyl-9-ethyl-9-hydroxy-N-(2-methylpyridin-3-yl)-5-oxo-5,7,7a,8,9,10,11,11a-octahydrodibenzo[c,e]oxepine-3-carboxamide

(3R,4aR,11bS)-11b-benzyl-3-ethyl-3-hydroxy-6-methyl-N-(2-methylpyridin-3-yl)-7-oxo-2,3,4,4a,5,6,7,11b-octahydro-1H-dibenzo[c,e]azepine-9-carboxamide

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