1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-{[(1Z)-(cyanoimino)(phenoxy)methyl]amino}-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.0^2,7]nonadeca-1⁽¹⁹⁾,2⁽⁷⁾,3,5,15,17-hexaen-14-yl]-5-methyl-1H-1,2,3-triazole-4-carboxamide

Base Information

• Chemical Name: 1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-{[(1Z)-(cyanoimino)(phenoxy)methyl]amino}-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.0^2,7]nonadeca-1⁽¹⁹⁾,2⁽⁷⁾,3,5,15,17-hexaen-14-yl]-5-methyl-1H-1,2,3-triazole-4-carboxamide
• CAS No.: 1422448-80-3
• Molecular Formula: C₃₆H₃₁ClFN₉O₃
• Molecular Weight: 692.152

Synonyms:1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-{[(1Z)-(cyanoimino)(phenoxy)methyl]amino}-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.0^2,7]nonadeca-1⁽¹⁹⁾,2⁽⁷⁾,3,5,15,17-hexaen-14-yl]-5-methyl-1H-1,2,3-triazole-4-carboxamide

Chemical Property of 1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-{[(1Z)-(cyanoimino)(phenoxy)methyl]amino}-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.0^2,7]nonadeca-1⁽¹⁹⁾,2⁽⁷⁾,3,5,15,17-hexaen-14-yl]-5-methyl-1H-1,2,3-triazole-4-carboxamide

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

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Useful:

Technology Process of 1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-{[(1Z)-(cyanoimino)(phenoxy)methyl]amino}-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.0^2,7]nonadeca-1⁽¹⁹⁾,2⁽⁷⁾,3,5,15,17-hexaen-14-yl]-5-methyl-1H-1,2,3-triazole-4-carboxamide

There total 22 articles about 1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-{[(1Z)-(cyanoimino)(phenoxy)methyl]amino}-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.0^2,7]nonadeca-1⁽¹⁹⁾,2⁽⁷⁾,3,5,15,17-hexaen-14-yl]-5-methyl-1H-1,2,3-triazole-4-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: 99.0%

N-[(10R,14S)-5-amino-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-1-(3-chloro-2-fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide dihydrochloride + N-cyanodiphenylcarbonimidate (79463-77-7) → 1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-{[(1Z)-(cyanoimino)(phenoxy)methyl]amino}-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methyl-1H-1,2,3-triazole-4-carboxamide (1422448-80-3)

Guidance literature:

With pyridine; In isopropyl alcohol; at 20 ℃; for 2h;

Reference yield:

2‐(5,5‐dimethyl‐1,3,2‐dioxaborinan‐2‐yl)‐5‐nitroaniline (1329166-69-9) → 1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-{[(1Z)-(cyanoimino)(phenoxy)methyl]amino}-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methyl-1H-1,2,3-triazole-4-carboxamide (1422448-80-3)

Guidance literature:

Multi-step reaction with 11 steps

1.1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium phosphate / water; dimethyl sulfoxide / 4 h / 90 °C / Inert atmosphere

2.1: zinc; ammonium chloride / methanol / 4 h

3.1: pyridine / dichloromethane / 1.5 h / -78 °C

4.1: N-ethyl-N,N-diisopropylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / ethyl acetate / 7 h / -10 - 0 °C

5.1: toluene-4-sulfonic acid / dichloromethane / 1 h / 40 °C / Inert atmosphere

5.2: 6 h / 40 °C / Inert atmosphere

6.1: hydrogen; palladium 10% on activated carbon / methanol / 20 h / 2585.81 Torr / Inert atmosphere

7.1: sodium hydroxide / methanol / 75 °C / Sealed tube

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

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

10.1: hydrogenchloride / methanol

11.1: pyridine / isopropyl alcohol / 2 h / 20 °C

With pyridine; hydrogenchloride; potassium phosphate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; palladium 10% on activated carbon; hydrogen; ammonium chloride; benzotriazol-1-ol; toluene-4-sulfonic acid; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; sodium hydroxide; zinc; In 1,4-dioxane; methanol; dichloromethane; water; dimethyl sulfoxide; ethyl acetate; N,N-dimethyl-formamide; isopropyl alcohol;

Reference yield:

2-bromo 5-nitroaniline (10403-47-1) → 1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-{[(1Z)-(cyanoimino)(phenoxy)methyl]amino}-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methyl-1H-1,2,3-triazole-4-carboxamide (1422448-80-3)

Guidance literature:

Multi-step reaction with 12 steps

1.1: potassium acetate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂ / dimethyl sulfoxide / 4 h / 80 °C / Inert atmosphere

2.1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium phosphate / water; dimethyl sulfoxide / 4 h / 90 °C / Inert atmosphere

3.1: zinc; ammonium chloride / methanol / 4 h

4.1: pyridine / dichloromethane / 1.5 h / -78 °C

5.1: N-ethyl-N,N-diisopropylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / ethyl acetate / 7 h / -10 - 0 °C

6.1: toluene-4-sulfonic acid / dichloromethane / 1 h / 40 °C / Inert atmosphere

6.2: 6 h / 40 °C / Inert atmosphere

7.1: hydrogen; palladium 10% on activated carbon / methanol / 20 h / 2585.81 Torr / Inert atmosphere

8.1: sodium hydroxide / methanol / 75 °C / Sealed tube

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

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

11.1: hydrogenchloride / methanol

12.1: pyridine / isopropyl alcohol / 2 h / 20 °C

With pyridine; hydrogenchloride; potassium phosphate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; palladium 10% on activated carbon; hydrogen; potassium acetate; ammonium chloride; benzotriazol-1-ol; toluene-4-sulfonic acid; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; sodium hydroxide; zinc; In 1,4-dioxane; methanol; dichloromethane; water; dimethyl sulfoxide; ethyl acetate; N,N-dimethyl-formamide; isopropyl alcohol;

upstream raw materials:

1-(3-chloro-2-fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid

(R)-2-methylbut-3-enoic acid

2‐(5,5‐dimethyl‐1,3,2‐dioxaborinan‐2‐yl)‐5‐nitroaniline

2-bromo 5-nitroaniline

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