3-(5-(1-(4-cyanophenyl)-1H-pyrazol-5-yl)-6-methyl-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxamido)-N,N,N-trimethylpropan-1-aminium benzenesulfonate

Base Information

Chemical Name:3-(5-(1-(4-cyanophenyl)-1H-pyrazol-5-yl)-6-methyl-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxamido)-N,N,N-trimethylpropan-1-aminium benzenesulfonate
CAS No.:1281969-57-0
Molecular Formula:C₆H₅O₃S*C₃₀H₃₀F₃N₆O₂
Molecular Weight:720.772
Hs Code.:

3-(5-(1-(4-cyanophenyl)-1H-pyrazol-5-yl)-6-methyl-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxamido)-N,N,N-trimethylpropan-1-aminium benzenesulfonate

Synonyms:3-(5-(1-(4-cyanophenyl)-1H-pyrazol-5-yl)-6-methyl-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxamido)-N,N,N-trimethylpropan-1-aminium benzenesulfonate

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Chemical Property of 3-(5-(1-(4-cyanophenyl)-1H-pyrazol-5-yl)-6-methyl-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxamido)-N,N,N-trimethylpropan-1-aminium benzenesulfonate

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Technology Process of 3-(5-(1-(4-cyanophenyl)-1H-pyrazol-5-yl)-6-methyl-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxamido)-N,N,N-trimethylpropan-1-aminium benzenesulfonate

There total 12 articles about 3-(5-(1-(4-cyanophenyl)-1H-pyrazol-5-yl)-6-methyl-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxamido)-N,N,N-trimethylpropan-1-aminium 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: 90.0%

: 1281969-55-8
5-(1-(4-cyanophenyl)-1H-pyrazol-5-yl)-N-(3-(dimethylamino)propyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxamide

: 80-18-2
Methyl benzenesulfonate

: 1281969-57-0
3-(5-(1-(4-cyanophenyl)-1H-pyrazol-5-yl)-6-methyl-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxamido)-N,N,N-trimethylpropan-1-aminium benzenesulfonate

Guidance literature:: In acetone; at 55 ℃; for 4h; Product distribution / selectivity;

Reference yield:

: 98-16-8
3-trifluoromethylaniline

: 1281969-57-0
3-(5-(1-(4-cyanophenyl)-1H-pyrazol-5-yl)-6-methyl-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxamido)-N,N,N-trimethylpropan-1-aminium benzenesulfonate

Guidance literature:: Multi-step reaction with 8 steps

1.1: sodium hydrogencarbonate / Isopropyl acetate / -10 - 10 °C

2.1: sodium methylate / ethanol; methanol / 50 - 55 °C

3.1: nitric acid; iodine; sulfuric acid / acetic acid / -55 - 50 °C

4.1: 1,1'-carbonyldiimidazole / N,N-dimethyl-formamide / 1.17 h / 25 °C

4.2: 1 h / 25 °C

5.1: N-ethyl-N,N-diisopropylamine / dichloro[1,1'-bis(di-t-butylphosphino)ferrocene]palladium(II) / N,N-dimethyl-formamide; water / 12 h / 40 °C / Inert atmosphere

6.1: acetonitrile / -78 - 70 °C / 750.08 Torr / Sealed; Cooling with ethanol-dry ice

7.1: acetonitrile

8.1: sodium hydrogencarbonate / water; methanol

With sulfuric acid; iodine; nitric acid; sodium methylate; sodium hydrogencarbonate; N-ethyl-N,N-diisopropylamine; 1,1'-carbonyldiimidazole; dichloro[1,1'-bis(di-t-butylphosphino)ferrocene]palladium(II); In methanol; ethanol; Isopropyl acetate; water; acetic acid; N,N-dimethyl-formamide; acetonitrile;

Reference yield:

: 694479-56-6
6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxylic acid

: 1281969-57-0
3-(5-(1-(4-cyanophenyl)-1H-pyrazol-5-yl)-6-methyl-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxamido)-N,N,N-trimethylpropan-1-aminium benzenesulfonate

Guidance literature:: Multi-step reaction with 6 steps

1.1: nitric acid; iodine; sulfuric acid / acetic acid / -55 - 50 °C

2.1: 1,1'-carbonyldiimidazole / N,N-dimethyl-formamide / 1.17 h / 25 °C

2.2: 1 h / 25 °C

3.1: N-ethyl-N,N-diisopropylamine / dichloro[1,1'-bis(di-t-butylphosphino)ferrocene]palladium(II) / N,N-dimethyl-formamide; water / 12 h / 40 °C / Inert atmosphere

4.1: acetonitrile / -78 - 70 °C / 750.08 Torr / Sealed; Cooling with ethanol-dry ice

5.1: acetonitrile

6.1: sodium hydrogencarbonate / water; methanol

With sulfuric acid; iodine; nitric acid; sodium hydrogencarbonate; N-ethyl-N,N-diisopropylamine; 1,1'-carbonyldiimidazole; dichloro[1,1'-bis(di-t-butylphosphino)ferrocene]palladium(II); In methanol; water; acetic acid; N,N-dimethyl-formamide; acetonitrile;