(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)-trimethyl-ammonium bromide

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)-trimethyl-ammonium bromide
CAS No.:1613619-97-8
Molecular Formula:Br*C₂₈H₃₀F₃N₆O₃
Molecular Weight:635.484
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)-trimethyl-ammonium bromide

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)-trimethyl-ammonium bromide

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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)-trimethyl-ammonium bromide

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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)-trimethyl-ammonium bromide

There total 19 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)-trimethyl-ammonium bromide 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:

: 74-83-9
methyl bromide

: 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

: 1613619-97-8
(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)-trimethyl-ammonium bromide

Guidance literature:: In water; acetonitrile; at 5 - 20 ℃; for 2h;

Reference yield:

: 1736-70-5
3-trifluoromethylphenylthiourea

: 1613619-97-8
(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)-trimethyl-ammonium bromide

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: water; acetonitrile / 2 h / 5 - 20 °C

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; water; acetonitrile;

Reference yield:

: 1613621-56-9
4-(2-bromo-4-cyanophenyl)-6-methyl-2-thioxo-1-(3-trifluoromethylphenyl)-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester

: 1613619-97-8
(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)-trimethyl-ammonium bromide

Guidance literature:: Multi-step reaction with 5 steps

1.1: 2,6-dimethylpyridine / dichloromethane / 0.5 h / 0 - 20 °C / Inert atmosphere

1.2: 2.33 h / 10 - 20 °C / Inert atmosphere; Cooling with ice

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

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

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

5.1: water; acetonitrile / 2 h / 5 - 20 °C

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