(3-{5-cyano-2-[(R)-6-methoxycarbonyl-7-methyl-3-oxo-8-(3-trifluoromethyl-phenyl)-2,3,5,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl]-phenyl}-propyl)-(3-methanesulfonyl-propyl)-dimethyl-ammonium formate

Base Information

Chemical Name:(3-{5-cyano-2-[(R)-6-methoxycarbonyl-7-methyl-3-oxo-8-(3-trifluoromethyl-phenyl)-2,3,5,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl]-phenyl}-propyl)-(3-methanesulfonyl-propyl)-dimethyl-ammonium formate
CAS No.:1613619-48-9
Molecular Formula:CHO₂*C₃₁H₃₆F₃N₆O₅S
Molecular Weight:706.743
Hs Code.:

(3-{5-cyano-2-[(R)-6-methoxycarbonyl-7-methyl-3-oxo-8-(3-trifluoromethyl-phenyl)-2,3,5,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl]-phenyl}-propyl)-(3-methanesulfonyl-propyl)-dimethyl-ammonium formate

Synonyms:(3-{5-cyano-2-[(R)-6-methoxycarbonyl-7-methyl-3-oxo-8-(3-trifluoromethyl-phenyl)-2,3,5,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl]-phenyl}-propyl)-(3-methanesulfonyl-propyl)-dimethyl-ammonium formate

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Chemical Property of (3-{5-cyano-2-[(R)-6-methoxycarbonyl-7-methyl-3-oxo-8-(3-trifluoromethyl-phenyl)-2,3,5,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl]-phenyl}-propyl)-(3-methanesulfonyl-propyl)-dimethyl-ammonium formate

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Technology Process of (3-{5-cyano-2-[(R)-6-methoxycarbonyl-7-methyl-3-oxo-8-(3-trifluoromethyl-phenyl)-2,3,5,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl]-phenyl}-propyl)-(3-methanesulfonyl-propyl)-dimethyl-ammonium formate

There total 20 articles about (3-{5-cyano-2-[(R)-6-methoxycarbonyl-7-methyl-3-oxo-8-(3-trifluoromethyl-phenyl)-2,3,5,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl]-phenyl}-propyl)-(3-methanesulfonyl-propyl)-dimethyl-ammonium formate 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:

: 64-18-6
formic acid

: 859940-73-1
1-bromo-3-(methylsulphonyl)propane

: 1613619-45-6
(R)-5-[4-cyano-2-(3-dimethylamino-propyl)-phenyl]-7-methyl-3-oxo-8-(3-trifluoromethyl-phenyl)-2,3,5,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylic acid methyl ester

: 1613619-48-9
(3-{5-cyano-2-[(R)-6-methoxycarbonyl-7-methyl-3-oxo-8-(3-trifluoromethyl-phenyl)-2,3,5,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl]-phenyl}-propyl)-(3-methanesulfonyl-propyl)-dimethyl-ammonium formate

Guidance literature:: 1-bromo-3-(methylsulphonyl)propane; (R)-5-[4-cyano-2-(3-dimethylamino-propyl)-phenyl]-7-methyl-3-oxo-8-(3-trifluoromethyl-phenyl)-2,3,5,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylic acid methyl ester; In acetonitrile; at 90 ℃; for 0.666667h; Microwave irradiation;

formic acid; In water; acetonitrile;

Reference yield:

: 1736-70-5
3-trifluoromethylphenylthiourea

: 1613619-48-9
(3-{5-cyano-2-[(R)-6-methoxycarbonyl-7-methyl-3-oxo-8-(3-trifluoromethyl-phenyl)-2,3,5,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl]-phenyl}-propyl)-(3-methanesulfonyl-propyl)-dimethyl-ammonium formate

Guidance literature:: Multi-step reaction with 6 steps

1.1: Tris(trimethylsilyl) phosphate / tetrahydrofuran / 17 h / 75 °C / Inert atmosphere

2.1: 2,6-dimethylpyridine / dichloromethane / 0.5 h / 0 - 20 °C / Inert atmosphere

2.2: 2.33 h / 10 - 20 °C / Inert atmosphere; Cooling with ice

3.1: daicel chiralpak IC colunm (5 μm, 250 mmx10 mm)

4.1: triethylamine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide / 1,4-dioxane / 0.5 h / 120 °C / Inert atmosphere; Microwave irradiation

5.1: hydrogen; palladium 10% on activated carbon / ethanol / 2 h / 50 °C

6.1: acetonitrile / 0.67 h / 90 °C / Microwave irradiation

With 2,6-dimethylpyridine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; Tris(trimethylsilyl) phosphate; palladium 10% on activated carbon; hydrogen; triethylamine; In tetrahydrofuran; 1,4-dioxane; ethanol; dichloromethane; acetonitrile;

Reference yield:

: 105-45-3
acetoacetic acid methyl ester

: 1613619-48-9
(3-{5-cyano-2-[(R)-6-methoxycarbonyl-7-methyl-3-oxo-8-(3-trifluoromethyl-phenyl)-2,3,5,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl]-phenyl}-propyl)-(3-methanesulfonyl-propyl)-dimethyl-ammonium formate

Guidance literature:: Multi-step reaction with 6 steps

1.1: Tris(trimethylsilyl) phosphate / tetrahydrofuran / 17 h / 75 °C / Inert atmosphere

2.1: 2,6-dimethylpyridine / dichloromethane / 0.5 h / 0 - 20 °C / Inert atmosphere

2.2: 2.33 h / 10 - 20 °C / Inert atmosphere; Cooling with ice

3.1: daicel chiralpak IC colunm (5 μm, 250 mmx10 mm)

4.1: triethylamine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide / 1,4-dioxane / 0.5 h / 120 °C / Inert atmosphere; Microwave irradiation

5.1: hydrogen; palladium 10% on activated carbon / ethanol / 2 h / 50 °C

6.1: acetonitrile / 0.67 h / 90 °C / Microwave irradiation

With 2,6-dimethylpyridine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; Tris(trimethylsilyl) phosphate; palladium 10% on activated carbon; hydrogen; triethylamine; In tetrahydrofuran; 1,4-dioxane; ethanol; dichloromethane; acetonitrile;