[8-methyl-3-(1-{4-[5-(pyrrolidin-1-ylcarbonyl)pyridin-2-yl]phenyl}cyclopropyl)-5,6,8,9-tetrahydro[1,2,4]triazolo[4,3-d][1,4]thiazepin-8-yl]methanol

Base Information

Chemical Name:[8-methyl-3-(1-{4-[5-(pyrrolidin-1-ylcarbonyl)pyridin-2-yl]phenyl}cyclopropyl)-5,6,8,9-tetrahydro[1,2,4]triazolo[4,3-d][1,4]thiazepin-8-yl]methanol
CAS No.:1403395-83-4
Molecular Formula:C₂₇H₃₁N₅O₂S
Molecular Weight:489.641
Hs Code.:

Synonyms:[8-methyl-3-(1-{4-[5-(pyrrolidin-1-ylcarbonyl)pyridin-2-yl]phenyl}cyclopropyl)-5,6,8,9-tetrahydro[1,2,4]triazolo[4,3-d][1,4]thiazepin-8-yl]methanol

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Chemical Property of [8-methyl-3-(1-{4-[5-(pyrrolidin-1-ylcarbonyl)pyridin-2-yl]phenyl}cyclopropyl)-5,6,8,9-tetrahydro[1,2,4]triazolo[4,3-d][1,4]thiazepin-8-yl]methanol

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Technology Process of [8-methyl-3-(1-{4-[5-(pyrrolidin-1-ylcarbonyl)pyridin-2-yl]phenyl}cyclopropyl)-5,6,8,9-tetrahydro[1,2,4]triazolo[4,3-d][1,4]thiazepin-8-yl]methanol

There total 10 articles about [8-methyl-3-(1-{4-[5-(pyrrolidin-1-ylcarbonyl)pyridin-2-yl]phenyl}cyclopropyl)-5,6,8,9-tetrahydro[1,2,4]triazolo[4,3-d][1,4]thiazepin-8-yl]methanol 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: 11.0%

: 123-75-1
pyrrolidine

: 1403395-71-0
6-(4-{1-[8-(hydroxymethyl)-8-methyl-5,6,8,9-tetrahydro[1,2,4]triazolo[4,3-d][1,4]thiazepin-3-yl]cyclopropyl}phenyl)nicotinic acid

: 1403395-83-4
[8-methyl-3-(1-{4-[5-(pyrrolidin-1-ylcarbonyl)pyridin-2-yl]phenyl}cyclopropyl)-5,6,8,9-tetrahydro[1,2,4]triazolo[4,3-d][1,4]thiazepin-8-yl]methanol

Guidance literature:: With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20 ℃; for 14h;

Reference yield:

: 16532-79-9
4-Bromophenylacetonitrile

: 1403395-83-4
[8-methyl-3-(1-{4-[5-(pyrrolidin-1-ylcarbonyl)pyridin-2-yl]phenyl}cyclopropyl)-5,6,8,9-tetrahydro[1,2,4]triazolo[4,3-d][1,4]thiazepin-8-yl]methanol

Guidance literature:: Multi-step reaction with 10 steps

1.1: potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride / water / 3 h / 50 °C

1.2: 72 h / 100 °C

2.1: benzotriazol-1-ol; triethylamine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / N,N-dimethyl-formamide / 15 h / 20 °C

3.1: potassium acetate; 1,1'-bis(diphenylphosphino)ferrocene-palladium(ii)dichloride-chloroform adduct / 1,4-dioxane / 3 h / 110 °C

4.1: potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾ / water; 1,2-dimethoxyethane / 27 h / 80 - 100 °C

5.1: hydrogenchloride / 1,4-dioxane / 1 h / 20 - 50 °C

6.1: butan-1-ol / 13 h / 140 °C

7.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 1.5 h / 20 °C

8.1: hydrogenchloride / 1,4-dioxane; methanol / 2 h / 20 - 50 °C / Sonication

9.1: potassium hydroxide; water / ethanol / 9 h / 100 °C

10.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / N,N-dimethyl-formamide / 14 h / 20 °C

With hydrogenchloride; dmap; tetrakis(triphenylphosphine) palladium⁽⁰⁾; 1,1'-bis(diphenylphosphino)ferrocene-palladium(ii)dichloride-chloroform adduct; tetrabutyl ammonium fluoride; N-benzyl-N,N,N-triethylammonium chloride; water; potassium acetate; potassium carbonate; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; potassium hydroxide; In tetrahydrofuran; 1,4-dioxane; methanol; 1,2-dimethoxyethane; ethanol; water; N,N-dimethyl-formamide; butan-1-ol;

Reference yield:

: 345965-52-8
1-(4-bromophenyl)cyclopropanecarboxylic acid

: 1403395-83-4
[8-methyl-3-(1-{4-[5-(pyrrolidin-1-ylcarbonyl)pyridin-2-yl]phenyl}cyclopropyl)-5,6,8,9-tetrahydro[1,2,4]triazolo[4,3-d][1,4]thiazepin-8-yl]methanol

Guidance literature:: Multi-step reaction with 9 steps

1: benzotriazol-1-ol; triethylamine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / N,N-dimethyl-formamide / 15 h / 20 °C

2: potassium acetate; 1,1'-bis(diphenylphosphino)ferrocene-palladium(ii)dichloride-chloroform adduct / 1,4-dioxane / 3 h / 110 °C

3: potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾ / water; 1,2-dimethoxyethane / 27 h / 80 - 100 °C

4: hydrogenchloride / 1,4-dioxane / 1 h / 20 - 50 °C

5: butan-1-ol / 13 h / 140 °C

6: tetrabutyl ammonium fluoride / tetrahydrofuran / 1.5 h / 20 °C

7: hydrogenchloride / 1,4-dioxane; methanol / 2 h / 20 - 50 °C / Sonication

8: potassium hydroxide; water / ethanol / 9 h / 100 °C

9: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / N,N-dimethyl-formamide / 14 h / 20 °C

With hydrogenchloride; dmap; tetrakis(triphenylphosphine) palladium⁽⁰⁾; 1,1'-bis(diphenylphosphino)ferrocene-palladium(ii)dichloride-chloroform adduct; tetrabutyl ammonium fluoride; water; potassium acetate; potassium carbonate; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; potassium hydroxide; In tetrahydrofuran; 1,4-dioxane; methanol; 1,2-dimethoxyethane; ethanol; water; N,N-dimethyl-formamide; butan-1-ol;