(4S)-4-[4-Cyano-2-(methylsulfonyl)phenyl]-3-{2-[4-hydroxypiperidin-1-yl]-2-oxoethyl}-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

Base Information

• Chemical Name: (4S)-4-[4-Cyano-2-(methylsulfonyl)phenyl]-3-{2-[4-hydroxypiperidin-1-yl]-2-oxoethyl}-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
• CAS No.: 1161921-75-0
• Molecular Formula: C₂₈H₂₆F₃N₅O₅S
• Molecular Weight: 601.606

Synonyms:(4S)-4-[4-Cyano-2-(methylsulfonyl)phenyl]-3-{2-[4-hydroxypiperidin-1-yl]-2-oxoethyl}-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

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

Chemical Property:

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

There total 10 articles about (4S)-4-[4-Cyano-2-(methylsulfonyl)phenyl]-3-{2-[4-hydroxypiperidin-1-yl]-2-oxoethyl}-6-methyl-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: 98.0%

4-HYDROXYPIPERIDINE (5382-16-1) + 2-[(6S)-5-Cyano-6-[4-cyano-2-(methylsulfonyl)phenyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-3,6-dihydropyrimidin-1(2H)-yl]acetic acid (1161921-70-5) → (4S)-4-[4-Cyano-2-(methylsulfonyl)phenyl]-3-{2-[4-hydroxypiperidin-1-yl]-2-oxoethyl}-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (1161921-75-0)

Guidance literature:

2-[(6S)-5-Cyano-6-[4-cyano-2-(methylsulfonyl)phenyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-3,6-dihydropyrimidin-1(2H)-yl]acetic acid; With HATU; In N,N-dimethyl-formamide; at 0 ℃; for 0.333333h;

4-HYDROXYPIPERIDINE; With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 16h; Inert atmosphere;

Reference yield:

2-fluoro-4-cyanotoluene (170572-49-3) → (4S)-4-[4-Cyano-2-(methylsulfonyl)phenyl]-3-{2-[4-hydroxypiperidin-1-yl]-2-oxoethyl}-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (1161921-75-0)

Guidance literature:

Multi-step reaction with 10 steps

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

1.2: 1 h / 20 °C

2.1: dimethyl sulfoxide / Cooling with ice

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

4.1: chiral silica gel phase based on the selector poly(N-methacryloyl-D-leucinedicyclopropylmethylamide) / ethyl acetate; isopropyl alcohol; tetrahydrofuran; 2-Methylpentane / 24 °C / Resolution of racemate

5.1: morpholine / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / tetrahydrofuran / 1.5 h / 20 °C / Inert atmosphere

6.1: HATU / N,N-dimethyl-formamide / 0.33 h / 0 °C / Inert atmosphere

6.2: 4 h / 20 °C

7.1: Burgess Reagent / tetrahydrofuran / 1.5 h / 20 °C / Inert atmosphere

8.1: sodium hydride / tetrahydrofuran; mineral oil / 2.5 h / 0 - 20 °C / Inert atmosphere

9.1: trifluoroacetic acid / dichloromethane / 1.5 h / 20 °C / Inert atmosphere

10.1: HATU / N,N-dimethyl-formamide / 0.33 h / 0 °C

10.2: 16 h / 0 - 20 °C / Inert atmosphere

With morpholine; Burgess Reagent; triethyl phosphate; phosphorus pentoxide; sodium hydride; N,N-dimethyl-formamide dimethyl acetal; HATU; trifluoroacetic acid; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; 2-Methylpentane; dichloromethane; tert-butyl methyl ether; dimethyl sulfoxide; ethyl acetate; N,N-dimethyl-formamide; isopropyl alcohol; mineral oil;

Reference yield:

3-fluoro-4-formylbenzonitrile (105942-10-7) → (4S)-4-[4-Cyano-2-(methylsulfonyl)phenyl]-3-{2-[4-hydroxypiperidin-1-yl]-2-oxoethyl}-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (1161921-75-0)

Guidance literature:

Multi-step reaction with 9 steps

1.1: dimethyl sulfoxide / Cooling with ice

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

3.1: chiral silica gel phase based on the selector poly(N-methacryloyl-D-leucinedicyclopropylmethylamide) / ethyl acetate; isopropyl alcohol; tetrahydrofuran; 2-Methylpentane / 24 °C / Resolution of racemate

4.1: morpholine / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / tetrahydrofuran / 1.5 h / 20 °C / Inert atmosphere

5.1: HATU / N,N-dimethyl-formamide / 0.33 h / 0 °C / Inert atmosphere

5.2: 4 h / 20 °C

6.1: Burgess Reagent / tetrahydrofuran / 1.5 h / 20 °C / Inert atmosphere

7.1: sodium hydride / tetrahydrofuran; mineral oil / 2.5 h / 0 - 20 °C / Inert atmosphere

8.1: trifluoroacetic acid / dichloromethane / 1.5 h / 20 °C / Inert atmosphere

9.1: HATU / N,N-dimethyl-formamide / 0.33 h / 0 °C

9.2: 16 h / 0 - 20 °C / Inert atmosphere

With morpholine; Burgess Reagent; triethyl phosphate; phosphorus pentoxide; sodium hydride; HATU; trifluoroacetic acid; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; 2-Methylpentane; dichloromethane; tert-butyl methyl ether; dimethyl sulfoxide; ethyl acetate; N,N-dimethyl-formamide; isopropyl alcohol; mineral oil;

upstream raw materials:

2-fluoro-4-cyanotoluene

3-fluoro-4-formylbenzonitrile

4-HYDROXYPIPERIDINE

2-[(6S)-5-Cyano-6-[4-cyano-2-(methylsulfonyl)phenyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-3,6-dihydropyrimidin-1(2H)-yl]acetic acid

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