(SS)-N-[(5-cyano-2-{(4S)-5-cyano-3,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidin-4-yl}phenyl)(methyl)oxido-λ⁶-sulfanilidene]-2,2,2-trifluoroacetamide

Base Information

• Chemical Name: (SS)-N-[(5-cyano-2-{(4S)-5-cyano-3,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidin-4-yl}phenyl)(methyl)oxido-λ⁶-sulfanilidene]-2,2,2-trifluoroacetamide
• CAS No.: 1248521-01-8
• Molecular Formula: C₂₄H₁₇F₆N₅O₃S
• Molecular Weight: 569.487

Synonyms:(SS)-N-[(5-cyano-2-{(4S)-5-cyano-3,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidin-4-yl}phenyl)(methyl)oxido-λ⁶-sulfanilidene]-2,2,2-trifluoroacetamide

Chemical Property of (SS)-N-[(5-cyano-2-{(4S)-5-cyano-3,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidin-4-yl}phenyl)(methyl)oxido-λ⁶-sulfanilidene]-2,2,2-trifluoroacetamide

Chemical Property:

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Technology Process of (SS)-N-[(5-cyano-2-{(4S)-5-cyano-3,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidin-4-yl}phenyl)(methyl)oxido-λ⁶-sulfanilidene]-2,2,2-trifluoroacetamide

There total 11 articles about (SS)-N-[(5-cyano-2-{(4S)-5-cyano-3,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidin-4-yl}phenyl)(methyl)oxido-λ⁶-sulfanilidene]-2,2,2-trifluoroacetamide 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:

N-[(5-cyano-2-{(4S)-5-cyano-3,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidin-4-yl}phenyl)(methyl)oxido-λ6-sulfanilidene]-2,2,2-trifluoroacetamide → (SS)-N-[(5-cyano-2-{(4S)-5-cyano-3,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidin-4-yl}phenyl)(methyl)oxido-λ6-sulfanilidene]-2,2,2-trifluoroacetamide (1248521-01-8)

Guidance literature:

With silica gel; In cyclohexane; ethyl acetate;

Reference yield:

3-fluoro-4-formylbenzonitrile (105942-10-7) → (SS)-N-[(5-cyano-2-{(4S)-5-cyano-3,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidin-4-yl}phenyl)(methyl)oxido-λ6-sulfanilidene]-2,2,2-trifluoroacetamide (1248521-01-8)

Guidance literature:

Multi-step reaction with 10 steps

1.1: dimethyl sulfoxide / 0.75 h / Cooling with ice

2.1: phosphorus pentoxide; triethyl phosphate / tert-butyl methyl ether / 50 °C / Inert atmosphere; Reflux

3.1: morpholine / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / tetrahydrofuran / 20 °C / Inert atmosphere

4.1: poly(N-methacryloyl-D-leucine-dicyclopropylmethylamide) / ethyl acetate; methanol / Resolution of racemate

5.1: triethylamine; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; ammonium chloride / tetrahydrofuran / 0 - 20 °C / Inert atmosphere

6.1: Burgess Reagent / tetrahydrofuran / 0.5 h / 20 °C / Inert atmosphere

7.1: sodium periodate / water; methanol / 19 h / 30 - 50 °C

8.1: lithium hexamethyldisilazane / tetrahydrofuran / 0.33 h / -78 °C / Inert atmosphere

8.2: 16 h / -78 - 20 °C

9.1: magnesium oxide; [bis(acetoxy)iodo]benzene / dirhodium tetraacetate / dichloromethane / Inert atmosphere

10.1: silica gel / ethyl acetate; cyclohexane

With morpholine; sodium periodate; Burgess Reagent; triethyl phosphate; phosphorus pentoxide; [bis(acetoxy)iodo]benzene; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; magnesium oxide; ammonium chloride; triethylamine; lithium hexamethyldisilazane; dirhodium tetraacetate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; methanol; dichloromethane; tert-butyl methyl ether; cyclohexane; water; dimethyl sulfoxide; ethyl acetate;

Reference yield:

2-fluoro-4-cyanotoluene (170572-49-3) → (SS)-N-[(5-cyano-2-{(4S)-5-cyano-3,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidin-4-yl}phenyl)(methyl)oxido-λ6-sulfanilidene]-2,2,2-trifluoroacetamide (1248521-01-8)

Guidance literature:

Multi-step reaction with 11 steps

1.1: N,N-dimethyl-formamide dimethyl acetal / dichloromethane; N,N-dimethyl-formamide; water / Inert atmosphere; Reflux

1.2: 1 h / 20 °C

2.1: dimethyl sulfoxide / 0.75 h / Cooling with ice

3.1: phosphorus pentoxide; triethyl phosphate / tert-butyl methyl ether / 50 °C / Inert atmosphere; Reflux

4.1: morpholine / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / tetrahydrofuran / 20 °C / Inert atmosphere

5.1: poly(N-methacryloyl-D-leucine-dicyclopropylmethylamide) / ethyl acetate; methanol / Resolution of racemate

6.1: triethylamine; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; ammonium chloride / tetrahydrofuran / 0 - 20 °C / Inert atmosphere

7.1: Burgess Reagent / tetrahydrofuran / 0.5 h / 20 °C / Inert atmosphere

8.1: sodium periodate / water; methanol / 19 h / 30 - 50 °C

9.1: lithium hexamethyldisilazane / tetrahydrofuran / 0.33 h / -78 °C / Inert atmosphere

9.2: 16 h / -78 - 20 °C

10.1: magnesium oxide; [bis(acetoxy)iodo]benzene / dirhodium tetraacetate / dichloromethane / Inert atmosphere

11.1: silica gel / ethyl acetate; cyclohexane

With morpholine; sodium periodate; Burgess Reagent; triethyl phosphate; phosphorus pentoxide; [bis(acetoxy)iodo]benzene; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; magnesium oxide; ammonium chloride; N,N-dimethyl-formamide dimethyl acetal; triethylamine; lithium hexamethyldisilazane; dirhodium tetraacetate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; methanol; dichloromethane; tert-butyl methyl ether; cyclohexane; water; dimethyl sulfoxide; ethyl acetate; N,N-dimethyl-formamide;

upstream raw materials:

2-fluoro-4-cyanotoluene

3-fluoro-4-formylbenzonitrile

(4S)-4-[4-cyano-2-(methylsulfanyl)phenyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)-phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxamide

(4S)-4-[4-cyano-2-(methylsulfanyl)phenyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)-phenyl]-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

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