trans-4-[4-(3-{(1S)-1-[2-chloro-6-(difluoromethoxy)-3-fluorophenyl]-2-fluoroethyl}-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazol-1-yl]cyclohexanol

Base Information

• Chemical Name: trans-4-[4-(3-{(1S)-1-[2-chloro-6-(difluoromethoxy)-3-fluorophenyl]-2-fluoroethyl}-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazol-1-yl]cyclohexanol
• CAS No.: 1413868-61-7
• Molecular Formula: C₂₅H₂₃ClF₄N₄O₂
• Molecular Weight: 522.93

Synonyms:

Chemical Property of trans-4-[4-(3-{(1S)-1-[2-chloro-6-(difluoromethoxy)-3-fluorophenyl]-2-fluoroethyl}-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazol-1-yl]cyclohexanol

Chemical Property:

Purity/Quality:

Safty Information:

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Useful:

Technology Process of trans-4-[4-(3-{(1S)-1-[2-chloro-6-(difluoromethoxy)-3-fluorophenyl]-2-fluoroethyl}-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazol-1-yl]cyclohexanol

There total 12 articles about trans-4-[4-(3-{(1S)-1-[2-chloro-6-(difluoromethoxy)-3-fluorophenyl]-2-fluoroethyl}-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazol-1-yl]cyclohexanol 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:

4-(4-iodo-1H-pyrazol-1-yl)cyclohexanone (1227611-94-0) → trans-4-[4-(3-{(1S)-1-[2-chloro-6-(difluoromethoxy)-3-fluorophenyl]-2-fluoroethyl}-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazol-1-yl]cyclohexanol (1413868-61-7) + trans-4-[4-(3-{(1R)-1-[2-chloro-6-(difluoromethoxy)-3-fluorophenyl]-2-fluoroethyl}-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazol-1-yl]cyclohexanol (1413868-56-0)

Guidance literature:

Multi-step reaction with 7 steps

1.1: ethanol; sodium tetrahydroborate / 2 h / 20 °C / Inert atmosphere

2.1: 1H-imidazole / dmap / dichloromethane / 0.33 h / 20 °C

3.1: isopropylmagnesium chloride / tetrahydrofuran / 1.08 h / 0 °C / Inert atmosphere

3.2: 1 h / 20 °C

4.1: potassium fluoride / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane; water / 1.5 h / 90 °C / Inert atmosphere

5.1: disodium hydrogenphosphate; sodium amalgam; methanol / tetrahydrofuran / 9 h / -78 °C / Inert atmosphere

6.1: water / hydrogenchloride / tetrahydrofuran / 0 - 20 °C / Inert atmosphere

6.2: 0 °C

7.1: SFC (ChiralPak IA 21 x250 mm I_.D) / isopropyl alcohol; carbon dioxide; isopropylamine / Resolution of racemate

With 1H-imidazole; methanol; potassium fluoride; sodium tetrahydroborate; disodium hydrogenphosphate; sodium amalgam; ethanol; water; isopropylmagnesium chloride; hydrogenchloride; dmap; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In tetrahydrofuran; 1,4-dioxane; dichloromethane; carbon dioxide; water; isopropylamine; isopropyl alcohol;

Reference yield:

toluene-4-sulfonic acid 1,4-dioxa-spiro[4.5]dec-8-yl ester (23511-05-9) → trans-4-[4-(3-{(1S)-1-[2-chloro-6-(difluoromethoxy)-3-fluorophenyl]-2-fluoroethyl}-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazol-1-yl]cyclohexanol (1413868-61-7) + trans-4-[4-(3-{(1R)-1-[2-chloro-6-(difluoromethoxy)-3-fluorophenyl]-2-fluoroethyl}-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazol-1-yl]cyclohexanol (1413868-56-0)

Guidance literature:

Multi-step reaction with 9 steps

1.1: caesium carbonate / N,N-dimethyl-formamide / 20 h / 100 °C

2.1: water / pyridinium p-toluenesulfonate / acetone / 16 h / 65 °C

3.1: ethanol; sodium tetrahydroborate / 2 h / 20 °C / Inert atmosphere

4.1: 1H-imidazole / dmap / dichloromethane / 0.33 h / 20 °C

5.1: isopropylmagnesium chloride / tetrahydrofuran / 1.08 h / 0 °C / Inert atmosphere

5.2: 1 h / 20 °C

6.1: potassium fluoride / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane; water / 1.5 h / 90 °C / Inert atmosphere

7.1: disodium hydrogenphosphate; sodium amalgam; methanol / tetrahydrofuran / 9 h / -78 °C / Inert atmosphere

8.1: water / hydrogenchloride / tetrahydrofuran / 0 - 20 °C / Inert atmosphere

8.2: 0 °C

9.1: SFC (ChiralPak IA 21 x250 mm I_.D) / isopropyl alcohol; carbon dioxide; isopropylamine / Resolution of racemate

With 1H-imidazole; methanol; potassium fluoride; sodium tetrahydroborate; disodium hydrogenphosphate; sodium amalgam; ethanol; water; isopropylmagnesium chloride; caesium carbonate; hydrogenchloride; dmap; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; pyridinium p-toluenesulfonate; In tetrahydrofuran; 1,4-dioxane; dichloromethane; carbon dioxide; water; isopropylamine; N,N-dimethyl-formamide; isopropyl alcohol; acetone;

Reference yield:

1-(trans-4-{[tert-Butyl(dimethyl)silyl]oxy}cyclohexyl)-4-iodo-1H-pyrazole (1257997-18-4) → trans-4-[4-(3-{(1S)-1-[2-chloro-6-(difluoromethoxy)-3-fluorophenyl]-2-fluoroethyl}-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazol-1-yl]cyclohexanol (1413868-61-7) + trans-4-[4-(3-{(1R)-1-[2-chloro-6-(difluoromethoxy)-3-fluorophenyl]-2-fluoroethyl}-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazol-1-yl]cyclohexanol (1413868-56-0)

Guidance literature:

Multi-step reaction with 5 steps

1.1: isopropylmagnesium chloride / tetrahydrofuran / 1.08 h / 0 °C / Inert atmosphere

1.2: 1 h / 20 °C

2.1: potassium fluoride / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane; water / 1.5 h / 90 °C / Inert atmosphere

3.1: disodium hydrogenphosphate; sodium amalgam; methanol / tetrahydrofuran / 9 h / -78 °C / Inert atmosphere

4.1: water / hydrogenchloride / tetrahydrofuran / 0 - 20 °C / Inert atmosphere

4.2: 0 °C

5.1: SFC (ChiralPak IA 21 x250 mm I_.D) / isopropyl alcohol; carbon dioxide; isopropylamine / Resolution of racemate

With methanol; potassium fluoride; disodium hydrogenphosphate; sodium amalgam; water; isopropylmagnesium chloride; hydrogenchloride; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In tetrahydrofuran; 1,4-dioxane; carbon dioxide; water; isopropylamine; isopropyl alcohol;

upstream raw materials:

toluene-4-sulfonic acid 1,4-dioxa-spiro[4.5]dec-8-yl ester

4-iodo-1-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-pyrazole

4-(4-iodo-1H-pyrazol-1-yl)cyclohexanone

1-(trans-4-{[tert-Butyl(dimethyl)silyl]oxy}cyclohexyl)-4-iodo-1H-pyrazole

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