(4S)-4-[4-Cyano-2-(ethylsulfonyl)phenyl]-6-methyl-3-(methylsulfonyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

Base Information

Chemical Name:(4S)-4-[4-Cyano-2-(ethylsulfonyl)phenyl]-6-methyl-3-(methylsulfonyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CAS No.:1164203-86-4
Molecular Formula:C₂₃H₁₉F₃N₄O₅S₂
Molecular Weight:552.555
Hs Code.:

(4S)-4-[4-Cyano-2-(ethylsulfonyl)phenyl]-6-methyl-3-(methylsulfonyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

Synonyms:(4S)-4-[4-Cyano-2-(ethylsulfonyl)phenyl]-6-methyl-3-(methylsulfonyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

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Chemical Property of (4S)-4-[4-Cyano-2-(ethylsulfonyl)phenyl]-6-methyl-3-(methylsulfonyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

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Technology Process of (4S)-4-[4-Cyano-2-(ethylsulfonyl)phenyl]-6-methyl-3-(methylsulfonyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

There total 10 articles about (4S)-4-[4-Cyano-2-(ethylsulfonyl)phenyl]-6-methyl-3-(methylsulfonyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carbonitrile 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: 84.0%

: 1164203-82-0
(4S)-4-[4-Cyano-2-(ethylsulfonyl)phenyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

: 124-63-0
methanesulfonyl chloride

: 1164203-86-4
(4S)-4-[4-Cyano-2-(ethylsulfonyl)phenyl]-6-methyl-3-(methylsulfonyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

Guidance literature:: (4S)-4-[4-Cyano-2-(ethylsulfonyl)phenyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carbonitrile; With sodium hydride; In tetrahydrofuran; mineral oil; at 0 - 20 ℃; for 0.333333h; Inert atmosphere;

methanesulfonyl chloride; In tetrahydrofuran; mineral oil; for 20h; Inert atmosphere;

Reference yield:

: 170572-49-3
2-fluoro-4-cyanotoluene

: 1164203-86-4
(4S)-4-[4-Cyano-2-(ethylsulfonyl)phenyl]-6-methyl-3-(methylsulfonyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

Guidance literature:: Multi-step reaction with 11 steps

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

1.2: 1 h / 20 °C

2.1: toluene-4-sulfonic acid / toluene / 6 h / Reflux

3.1: potassium carbonate / N,N-dimethyl-formamide / 5 h / 20 - 100 °C / Inert atmosphere

4.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 16 h / 0 - 20 °C

5.1: water; pyridinium p-toluenesulfonate / acetone / 0.12 h / 165 °C / Microwave irradiation

6.1: phosphorus pentoxide; triethyl phosphate / tert-butyl methyl ether / 4 h / Inert atmosphere; Reflux

6.2: 2 h / 90 °C / Neat (no solvent)

7.1: morpholine / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / tetrahydrofuran / 16 h / 20 °C / Inert atmosphere

8.1: N-ethyl-N,N-diisopropylamine; ammonia; HATU / N,N-dimethyl-formamide; 1,4-dioxane / 3 h / 0 - 20 °C / Inert atmosphere

9.1: Burgess Reagent / tetrahydrofuran / 1.25 h / 20 °C / Inert atmosphere

10.1: chiral silica gel phase based on the selector poly(N-methacryloyl-D-leucinedicyclopropylmethylamide), 670 mm x 40 mm / ethyl acetate; 2-Methylpentane / 24 °C / Resolution of racemate

11.1: sodium hydride / tetrahydrofuran; mineral oil / 0.33 h / 0 - 20 °C / Inert atmosphere

11.2: 20 h / Inert atmosphere

With morpholine; Burgess Reagent; triethyl phosphate; phosphorus pentoxide; ammonia; water; pyridinium p-toluenesulfonate; sodium hydride; potassium carbonate; toluene-4-sulfonic acid; N,N-dimethyl-formamide dimethyl acetal; N-ethyl-N,N-diisopropylamine; 3-chloro-benzenecarboperoxoic acid; HATU; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; 1,4-dioxane; 2-Methylpentane; dichloromethane; tert-butyl methyl ether; ethyl acetate; N,N-dimethyl-formamide; acetone; toluene; mineral oil;

Reference yield:

: 105942-10-7
3-fluoro-4-formylbenzonitrile

: 1164203-86-4
(4S)-4-[4-Cyano-2-(ethylsulfonyl)phenyl]-6-methyl-3-(methylsulfonyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

Guidance literature:: Multi-step reaction with 10 steps

1.1: toluene-4-sulfonic acid / toluene / 6 h / Reflux

2.1: potassium carbonate / N,N-dimethyl-formamide / 5 h / 20 - 100 °C / Inert atmosphere

3.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 16 h / 0 - 20 °C

4.1: water; pyridinium p-toluenesulfonate / acetone / 0.12 h / 165 °C / Microwave irradiation

5.1: phosphorus pentoxide; triethyl phosphate / tert-butyl methyl ether / 4 h / Inert atmosphere; Reflux

5.2: 2 h / 90 °C / Neat (no solvent)

6.1: morpholine / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / tetrahydrofuran / 16 h / 20 °C / Inert atmosphere

7.1: N-ethyl-N,N-diisopropylamine; ammonia; HATU / N,N-dimethyl-formamide; 1,4-dioxane / 3 h / 0 - 20 °C / Inert atmosphere

8.1: Burgess Reagent / tetrahydrofuran / 1.25 h / 20 °C / Inert atmosphere

9.1: chiral silica gel phase based on the selector poly(N-methacryloyl-D-leucinedicyclopropylmethylamide), 670 mm x 40 mm / ethyl acetate; 2-Methylpentane / 24 °C / Resolution of racemate

10.1: sodium hydride / tetrahydrofuran; mineral oil / 0.33 h / 0 - 20 °C / Inert atmosphere

10.2: 20 h / Inert atmosphere

With morpholine; Burgess Reagent; triethyl phosphate; phosphorus pentoxide; ammonia; water; pyridinium p-toluenesulfonate; sodium hydride; potassium carbonate; toluene-4-sulfonic acid; N-ethyl-N,N-diisopropylamine; 3-chloro-benzenecarboperoxoic acid; HATU; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; 1,4-dioxane; 2-Methylpentane; dichloromethane; tert-butyl methyl ether; ethyl acetate; N,N-dimethyl-formamide; acetone; toluene; mineral oil;