3-((3S,9aS)-8-(2-(5-(1H-tetrazol-1-yl)pyridin-2-yl)acetyl)octahydropyrazino[2,1-c][1,4]oxazin-3-yl)-6-fluoro-2-methylbenzonitrile

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Chemical Name:3-((3S,9aS)-8-(2-(5-(1H-tetrazol-1-yl)pyridin-2-yl)acetyl)octahydropyrazino[2,1-c][1,4]oxazin-3-yl)-6-fluoro-2-methylbenzonitrile
CAS No.:1443735-03-2
Molecular Formula:C₂₃H₂₃FN₈O₂
Molecular Weight:462.486
Hs Code.:

Synonyms:3-((3S,9aS)-8-(2-(5-(1H-tetrazol-1-yl)pyridin-2-yl)acetyl)octahydropyrazino[2,1-c][1,4]oxazin-3-yl)-6-fluoro-2-methylbenzonitrile

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Chemical Property of 3-((3S,9aS)-8-(2-(5-(1H-tetrazol-1-yl)pyridin-2-yl)acetyl)octahydropyrazino[2,1-c][1,4]oxazin-3-yl)-6-fluoro-2-methylbenzonitrile

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Technology Process of 3-((3S,9aS)-8-(2-(5-(1H-tetrazol-1-yl)pyridin-2-yl)acetyl)octahydropyrazino[2,1-c][1,4]oxazin-3-yl)-6-fluoro-2-methylbenzonitrile

There total 14 articles about 3-((3S,9aS)-8-(2-(5-(1H-tetrazol-1-yl)pyridin-2-yl)acetyl)octahydropyrazino[2,1-c][1,4]oxazin-3-yl)-6-fluoro-2-methylbenzonitrile 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:

: 1426072-49-2
6-fluoro-2-methyl-3-[(3S,9aS)-octahydropyrazino[2,1-c][1,4]oxazin-3-yl]benzonitrile 2,2,2-trifluoroacetate

: 1374573-30-4
2-(5-(1H-tetrazol-1-yl)pyridin-2-yl)acetic acid

: 1443735-03-2
3-((3S,9aS)-8-(2-(5-(1H-tetrazol-1-yl)pyridin-2-yl)acetyl)octahydropyrazino[2,1-c][1,4]oxazin-3-yl)-6-fluoro-2-methylbenzonitrile

Guidance literature:: 6-fluoro-2-methyl-3-[(3S,9aS)-octahydropyrazino[2,1-c][1,4]oxazin-3-yl]benzonitrile 2,2,2-trifluoroacetate; With triethylamine; In dichloromethane; for 0.0833333h;

2-(5-(1H-tetrazol-1-yl)pyridin-2-yl)acetic acid; With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; for 2h;

Reference yield:

: 1255207-47-6
3-bromo-6-fluoro-2-methyl-benzonitrile

: 1443735-03-2
3-((3S,9aS)-8-(2-(5-(1H-tetrazol-1-yl)pyridin-2-yl)acetyl)octahydropyrazino[2,1-c][1,4]oxazin-3-yl)-6-fluoro-2-methylbenzonitrile

Guidance literature:: Multi-step reaction with 6 steps

1.1: bis(triphenylphosphine)palladium(II) chloride / 1,4-dioxane / 22 h / 100 °C

2.1: N-Bromosuccinimide; water / tetrahydrofuran; 1,4-dioxane / 0.5 h / 0 - 5 °C

3.1: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 18 h / 20 °C

4.1: trifluoroacetic acid; triethylsilane / dichloromethane / 24 h / 20 °C

4.2: 2 h / 20 °C

5.1: 1 h / 20 °C

6.1: triethylamine / dichloromethane / 0.08 h

6.2: 2 h

With triethylsilane; N-Bromosuccinimide; bis(triphenylphosphine)palladium(II) chloride; water; triethylamine; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In tetrahydrofuran; 1,4-dioxane; dichloromethane;

Reference yield:

: 883502-14-5
1-fluoro-2-iodo-3-methylbenzene

: 1443735-03-2
3-((3S,9aS)-8-(2-(5-(1H-tetrazol-1-yl)pyridin-2-yl)acetyl)octahydropyrazino[2,1-c][1,4]oxazin-3-yl)-6-fluoro-2-methylbenzonitrile

Guidance literature:: Multi-step reaction with 10 steps

1.1: tetrakis(triphenylphosphine) palladium⁽⁰⁾ / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere

2.1: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C

3.1: bis(triphenylphosphine)palladium(II) chloride / 1,4-dioxane / 22 h / 100 °C

4.1: N-Bromosuccinimide; water / tetrahydrofuran; 1,4-dioxane / 0.5 h / 0 - 5 °C

5.1: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 18 h / 20 °C

6.1: triethylamine

7.1: ethyl acetate; hexane / 50 °C

8.1: hydrogen; 5% Pd-CaCO3 / methanol / 38 h / 40 °C / Inert atmosphere

9.1: 1 h / 20 °C

10.1: triethylamine / dichloromethane / 0.08 h

10.2: 2 h

With N-Bromosuccinimide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; bis(triphenylphosphine)palladium(II) chloride; trifluorormethanesulfonic acid; 5% Pd-CaCO3; water; hydrogen; triethylamine; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; 1,4-dioxane; methanol; hexane; dichloromethane; N,N-dimethyl acetamide; ethyl acetate;