(7aR,9R,11aS)-11a-benzyl-9-hydroxy-5-oxo-9-trifluoromethyl-6,7,7a,8,9,10,11,11a-octahydro-5H-dibenzo[a,c]cycloheptene-3-carboxylic acid (2-methyl-pyridin-3-yl)-amide

Base Information

• Chemical Name: (7aR,9R,11aS)-11a-benzyl-9-hydroxy-5-oxo-9-trifluoromethyl-6,7,7a,8,9,10,11,11a-octahydro-5H-dibenzo[a,c]cycloheptene-3-carboxylic acid (2-methyl-pyridin-3-yl)-amide
• CAS No.: 1400925-76-9
• Molecular Formula: C₃₀H₂₉F₃N₂O₃
• Molecular Weight: 522.567

Synonyms:(7aR,9R,11aS)-11a-benzyl-9-hydroxy-5-oxo-9-trifluoromethyl-6,7,7a,8,9,10,11,11a-octahydro-5H-dibenzo[a,c]cycloheptene-3-carboxylic acid (2-methyl-pyridin-3-yl)-amide

Chemical Property of (7aR,9R,11aS)-11a-benzyl-9-hydroxy-5-oxo-9-trifluoromethyl-6,7,7a,8,9,10,11,11a-octahydro-5H-dibenzo[a,c]cycloheptene-3-carboxylic acid (2-methyl-pyridin-3-yl)-amide

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (7aR,9R,11aS)-11a-benzyl-9-hydroxy-5-oxo-9-trifluoromethyl-6,7,7a,8,9,10,11,11a-octahydro-5H-dibenzo[a,c]cycloheptene-3-carboxylic acid (2-methyl-pyridin-3-yl)-amide

There total 12 articles about (7aR,9R,11aS)-11a-benzyl-9-hydroxy-5-oxo-9-trifluoromethyl-6,7,7a,8,9,10,11,11a-octahydro-5H-dibenzo[a,c]cycloheptene-3-carboxylic acid (2-methyl-pyridin-3-yl)-amide 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: 33.0%

(7aS,9R,11aS)-11a-benzyl-9-hydroxy-5-oxo-9-trifluoromethyl-7a,8,9,10,11,11a-hexahydro-5H-dibenzo[a,c]cycloheptene-3-carboxylic acid (2-methyl-pyridin-3-yl)-amide (1400927-19-6) → (7aR,9R,11aS)-11a-benzyl-9-hydroxy-5-oxo-9-trifluoromethyl-6,7,7a,8,9,10,11,11a-octahydro-5H-dibenzo[a,c]cycloheptene-3-carboxylic acid (2-methyl-pyridin-3-yl)-amide (1400925-76-9)

Guidance literature:

With hydrogen; 10 wt% Pd(OH)2 on carbon; In ethyl acetate; at 50 ℃; for 4h; under 2585.81 Torr;

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) → (7aR,9R,11aS)-11a-benzyl-9-hydroxy-5-oxo-9-trifluoromethyl-6,7,7a,8,9,10,11,11a-octahydro-5H-dibenzo[a,c]cycloheptene-3-carboxylic acid (2-methyl-pyridin-3-yl)-amide (1400925-76-9)

Guidance literature:

Multi-step reaction with 12 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: trichloroacetic acid; (2R,5R)-5-benzyl-3-methyl-2-(5-methylfuran-2-yl)imidazolidin-4-one / toluene / 1 h / 20 °C

3.2: 96 h

4.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 2.83 h / 0 °C / Inert atmosphere

5.1: ozone / dichloromethane; methanol / 24 h / -65 °C

5.2: polymer bound triphenylphospine / 18 h / 20 °C

6.1: diethyl ether; tetrahydrofuran / 1.25 h / -78 - -20 °C / Inert atmosphere

7.1: toluene-4-sulfonic acid / toluene / 0.75 h / 60 °C / Molecular sieve; Inert atmosphere

8.1: lithium hexamethyldisilazane / tetrahydrofuran / 0.17 h / 0 °C / Inert atmosphere

8.2: 0 °C

9.1: lithium hexamethyldisilazane / toluene; tetrahydrofuran / 1 h / 0 °C / Inert atmosphere

10.1: ozone / dichloromethane; methanol / 0.1 h / -78 °C

10.2: polymer-bound triphenylphosphine / 5.5 h / 20 °C

10.3: 0.75 h

11.1: toluene-4-sulfonic acid / toluene / 1.5 h / 50 - 90 °C / Inert atmosphere

12.1: hydrogen / 10 wt% Pd(OH)2 on carbon / ethyl acetate / 4 h / 50 °C / 2585.81 Torr

With (2R,5R)-5-benzyl-3-methyl-2-(5-methylfuran-2-yl)imidazolidin-4-one; tetrabutyl ammonium fluoride; hydrogen; sodium ethanolate; toluene-4-sulfonic acid; ozone; triethylamine; lithium hexamethyldisilazane; trichloroacetic acid; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; 10 wt% Pd(OH)2 on carbon; In tetrahydrofuran; methanol; diethyl ether; ethanol; dichloromethane; ethyl acetate; toluene;

Reference yield:

methyl (4βS,8αR)-4β-benzyl-7-oxo-4β,5,6,7,8,8α,9,10-octahydrophenanthrene-2-carboxylate (1044535-50-3) → (7aR,9R,11aS)-11a-benzyl-9-hydroxy-5-oxo-9-trifluoromethyl-6,7,7a,8,9,10,11,11a-octahydro-5H-dibenzo[a,c]cycloheptene-3-carboxylic acid (2-methyl-pyridin-3-yl)-amide (1400925-76-9)

Guidance literature:

Multi-step reaction with 9 steps

1.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 2.83 h / 0 °C / Inert atmosphere

2.1: ozone / dichloromethane; methanol / 24 h / -65 °C

2.2: polymer bound triphenylphospine / 18 h / 20 °C

3.1: diethyl ether; tetrahydrofuran / 1.25 h / -78 - -20 °C / Inert atmosphere

4.1: toluene-4-sulfonic acid / toluene / 0.75 h / 60 °C / Molecular sieve; Inert atmosphere

5.1: lithium hexamethyldisilazane / tetrahydrofuran / 0.17 h / 0 °C / Inert atmosphere

5.2: 0 °C

6.1: lithium hexamethyldisilazane / toluene; tetrahydrofuran / 1 h / 0 °C / Inert atmosphere

7.1: ozone / dichloromethane; methanol / 0.1 h / -78 °C

7.2: polymer-bound triphenylphosphine / 5.5 h / 20 °C

7.3: 0.75 h

8.1: toluene-4-sulfonic acid / toluene / 1.5 h / 50 - 90 °C / Inert atmosphere

9.1: hydrogen / 10 wt% Pd(OH)2 on carbon / ethyl acetate / 4 h / 50 °C / 2585.81 Torr

With tetrabutyl ammonium fluoride; hydrogen; toluene-4-sulfonic acid; ozone; lithium hexamethyldisilazane; 10 wt% Pd(OH)2 on carbon; In tetrahydrofuran; methanol; diethyl ether; dichloromethane; ethyl acetate; 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

methyl (4βS,8αR)-4β-benzyl-7-oxo-4β,5,6,7,8,8α,9,10-octahydrophenanthrene-2-carboxylate

[4bS-(4bα,7α,8aβ)]-4b,5,6,7,8,8a,9,10-octahydro-7-hydroxy-4b-(phenylmethyl)-7-(trifluoromethyl)-2-phenanthrene carboxylic acid methyl ester

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

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