{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]-benzyl}-trimethyl-ammonium benzenesulfonate

Base Information

Chemical Name:{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]-benzyl}-trimethyl-ammonium benzenesulfonate
CAS No.:1613621-48-9
Molecular Formula:C₆H₅O₃S*C₂₆H₂₆F₃N₆O₃
Molecular Weight:684.696
Hs Code.:

{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]-benzyl}-trimethyl-ammonium benzenesulfonate

Synonyms:{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]-benzyl}-trimethyl-ammonium benzenesulfonate

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Chemical Property of {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]-benzyl}-trimethyl-ammonium benzenesulfonate

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Technology Process of {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]-benzyl}-trimethyl-ammonium benzenesulfonate

There total 18 articles about {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]-benzyl}-trimethyl-ammonium benzenesulfonate 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:

: 1613619-42-3
{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]-benzyl}-trimethyl-ammonium formate

: 1613621-48-9
{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]-benzyl}-trimethyl-ammonium benzenesulfonate

Guidance literature:: In water; acetonitrile; for 0.833333h; under 760.051 Torr;

Reference yield:

: 1736-70-5
3-trifluoromethylphenylthiourea

: 1613621-48-9
{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]-benzyl}-trimethyl-ammonium benzenesulfonate

Guidance literature:: Multi-step reaction with 5 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: tetrahydrofuran; ethanol / 72 h / 20 °C

5.1: water; acetonitrile / 0.83 h / 760.05 Torr

With 2,6-dimethylpyridine; Tris(trimethylsilyl) phosphate; In tetrahydrofuran; ethanol; dichloromethane; water; acetonitrile;

Reference yield:

: 105-45-3
acetoacetic acid methyl ester

: 1613621-48-9
{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]-benzyl}-trimethyl-ammonium benzenesulfonate

Guidance literature:: Multi-step reaction with 5 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: tetrahydrofuran; ethanol / 72 h / 20 °C

5.1: water; acetonitrile / 0.83 h / 760.05 Torr

With 2,6-dimethylpyridine; Tris(trimethylsilyl) phosphate; In tetrahydrofuran; ethanol; dichloromethane; water; acetonitrile;