2-methyl-N-(2-(3-(2-(3-oxobenzo[d]isothiazol-2(3H)-yl)-acetamido)phenylamino)pyrimidin-5-yl)-5-(3-(trifluoromethyl)-benzamido)benzamide

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Chemical Name:2-methyl-N-(2-(3-(2-(3-oxobenzo[d]isothiazol-2(3H)-yl)-acetamido)phenylamino)pyrimidin-5-yl)-5-(3-(trifluoromethyl)-benzamido)benzamide
CAS No.:1613228-50-4
Molecular Formula:C₃₅H₂₆F₃N₇O₄S
Molecular Weight:697.697
Hs Code.:

Synonyms:2-methyl-N-(2-(3-(2-(3-oxobenzo[d]isothiazol-2(3H)-yl)-acetamido)phenylamino)pyrimidin-5-yl)-5-(3-(trifluoromethyl)-benzamido)benzamide

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Chemical Property of 2-methyl-N-(2-(3-(2-(3-oxobenzo[d]isothiazol-2(3H)-yl)-acetamido)phenylamino)pyrimidin-5-yl)-5-(3-(trifluoromethyl)-benzamido)benzamide

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Technology Process of 2-methyl-N-(2-(3-(2-(3-oxobenzo[d]isothiazol-2(3H)-yl)-acetamido)phenylamino)pyrimidin-5-yl)-5-(3-(trifluoromethyl)-benzamido)benzamide

There total 8 articles about 2-methyl-N-(2-(3-(2-(3-oxobenzo[d]isothiazol-2(3H)-yl)-acetamido)phenylamino)pyrimidin-5-yl)-5-(3-(trifluoromethyl)-benzamido)benzamide 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: 81.0%

N-(2-((3-aminophenyl)amino)pyrimidin-5-yl)-2-methyl-5-(3-(trifluoromethyl)benzamido)benzamide: 1431727-20-6
N-(2-((3-aminophenyl)amino)pyrimidin-5-yl)-2-methyl-5-(3-(trifluoromethyl)benzamido)benzamide

: 82152-06-5
2-(3-Oxo-3h-benzo[d]isothiazol-2-yl)-acetic acid

: 1613228-50-4
2-methyl-N-(2-(3-(2-(3-oxobenzo[d]isothiazol-2(3H)-yl)-acetamido)phenylamino)pyrimidin-5-yl)-5-(3-(trifluoromethyl)-benzamido)benzamide

Guidance literature:: With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 20 ℃; for 5h;
DOI:10.1021/jm4017762

Reference yield:

: 454-92-2
3-(trifluoromethyl)benzoic acid

: 1613228-50-4
2-methyl-N-(2-(3-(2-(3-oxobenzo[d]isothiazol-2(3H)-yl)-acetamido)phenylamino)pyrimidin-5-yl)-5-(3-(trifluoromethyl)-benzamido)benzamide

Guidance literature:: Multi-step reaction with 5 steps

1: thionyl chloride / 1 h / Reflux

2: dichloromethane / 20 °C

3: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 20 °C

4: trifluoroacetic acid / dichloromethane / 2 h / 20 °C

5: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 5 h / 20 °C

With thionyl chloride; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm4017762

Reference yield:

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

: 1613228-50-4
2-methyl-N-(2-(3-(2-(3-oxobenzo[d]isothiazol-2(3H)-yl)-acetamido)phenylamino)pyrimidin-5-yl)-5-(3-(trifluoromethyl)-benzamido)benzamide

Guidance literature:: Multi-step reaction with 4 steps

1: dichloromethane / 20 °C

2: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 20 °C

3: trifluoroacetic acid / dichloromethane / 2 h / 20 °C

4: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 5 h / 20 °C

With N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm4017762