4-{4-[(R)-(4'-chlorobiphenyl-2-yl)(hydroxy)methyl]piperidin-1-yl}-N-[(4-{[(2R)-4-[(3S)-3-{[diethylamino]methyl}morpholin-4-yl]-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide

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Chemical Name:4-{4-[(R)-(4'-chlorobiphenyl-2-yl)(hydroxy)methyl]piperidin-1-yl}-N-[(4-{[(2R)-4-[(3S)-3-{[diethylamino]methyl}morpholin-4-yl]-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide
CAS No.:1357576-85-2
Molecular Formula:C₅₁H₅₉ClF₃N₅O₇S₃
Molecular Weight:1042.7
Hs Code.:

4-{4-[(R)-(4'-chlorobiphenyl-2-yl)(hydroxy)methyl]piperidin-1-yl}-N-[(4-{[(2R)-4-[(3S)-3-{[diethylamino]methyl}morpholin-4-yl]-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide

Synonyms:4-{4-[(R)-(4'-chlorobiphenyl-2-yl)(hydroxy)methyl]piperidin-1-yl}-N-[(4-{[(2R)-4-[(3S)-3-{[diethylamino]methyl}morpholin-4-yl]-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide

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Chemical Property of 4-{4-[(R)-(4'-chlorobiphenyl-2-yl)(hydroxy)methyl]piperidin-1-yl}-N-[(4-{[(2R)-4-[(3S)-3-{[diethylamino]methyl}morpholin-4-yl]-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide

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Technology Process of 4-{4-[(R)-(4'-chlorobiphenyl-2-yl)(hydroxy)methyl]piperidin-1-yl}-N-[(4-{[(2R)-4-[(3S)-3-{[diethylamino]methyl}morpholin-4-yl]-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide

There total 22 articles about 4-{4-[(R)-(4'-chlorobiphenyl-2-yl)(hydroxy)methyl]piperidin-1-yl}-N-[(4-{[(2R)-4-[(3S)-3-{[diethylamino]methyl}morpholin-4-yl]-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]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: 48.0%

: 1357575-90-6
4-(4-((R)-(tert-butyldimethylsilyloxy)(4'-chlorobiphenyl-2-yl)methyl)piperidin-1-yl)-N-(4-((R)-4-((S)-3-((diethylamino)methyl)morpholino)-1-(phenylthio)butan-2-ylamino)-3-(trifluoromethylsulfonyl)phenylsulfonyl)benzamide

: 1357576-85-2
4-{4-[(R)-(4'-chlorobiphenyl-2-yl)(hydroxy)methyl]piperidin-1-yl}-N-[(4-{[(2R)-4-[(3S)-3-{[diethylamino]methyl}morpholin-4-yl]-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide

Guidance literature:: 4-(4-((R)-(tert-butyldimethylsilyloxy)(4'-chlorobiphenyl-2-yl)methyl)piperidin-1-yl)-N-(4-((R)-4-((S)-3-((diethylamino)methyl)morpholino)-1-(phenylthio)butan-2-ylamino)-3-(trifluoromethylsulfonyl)phenylsulfonyl)benzamide; With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 18 - 25 ℃; for 0.75h;

With water; sodium hydrogencarbonate; In dichloromethane;

Reference yield:

: 1187929-79-8
(3S)-3-aminomethyl-4-{[(tert-butyl)oxy]carbonyl}morpholine

: 1357576-85-2
4-{4-[(R)-(4'-chlorobiphenyl-2-yl)(hydroxy)methyl]piperidin-1-yl}-N-[(4-{[(2R)-4-[(3S)-3-{[diethylamino]methyl}morpholin-4-yl]-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide

Guidance literature:: Multi-step reaction with 8 steps

1.1: pyridine / dichloromethane / 0.5 h

2.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 0.25 h

3.1: diphenylsilane / carbonylhydridetris(triphenylphosphine)rhodium(I) / tetrahydrofuran / 0.5 h

4.1: hydrogenchloride; water

5.1: N-ethyl-N,N-diisopropylamine; HATU / ISOPROPYLAMIDE / 1 h / 18 - 25 °C

6.1: borane-THF / tetrahydrofuran / 16 h / 18 - 25 °C

6.2: 3 h / 80 °C

6.3: 18 - 25 °C / pH 10

7.1: dmap; triethylamine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 18 - 25 °C

8.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 0.75 h / 18 - 25 °C

With pyridine; hydrogenchloride; dmap; borane-THF; diphenylsilane; tetrabutyl ammonium fluoride; water; sodium hydride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; N-ethyl-N,N-diisopropylamine; HATU; carbonylhydridetris(triphenylphosphine)rhodium(I); In tetrahydrofuran; dichloromethane; ISOPROPYLAMIDE; N,N-dimethyl-formamide; mineral oil;

Reference yield:

: 1679-18-1
4-Chlorophenylboronic acid

: 1357576-85-2
4-{4-[(R)-(4'-chlorobiphenyl-2-yl)(hydroxy)methyl]piperidin-1-yl}-N-[(4-{[(2R)-4-[(3S)-3-{[diethylamino]methyl}morpholin-4-yl]-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide

Guidance literature:: Multi-step reaction with 9 steps

1.1: sodium carbonate / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / toluene; water / Inert atmosphere; Reflux

2.1: TurboGrignard / tetrahydrofuran / -15 - 25 °C / Inert atmosphere

2.2: 1.58 h / 0 °C

3.1: trifluoroacetic acid / dichloromethane; methanol / 0.67 h / 18 - 25 °C

4.1: N-ethyl-N,N-diisopropylamine / dimethyl sulfoxide / 20 h / 120 °C

4.2: 24 h / 120 °C

5.1: Chiralpak IA column / isopropyl alcohol / Resolution of racemate

6.1: 2,6-dimethylpyridine / dichloromethane / 0.17 h / 0 - 25 °C

7.1: water; lithium hydroxide / tetrahydrofuran; methanol / 18 - 25 °C

8.1: dmap; triethylamine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 18 - 25 °C

9.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 0.75 h / 18 - 25 °C

With 2,6-dimethylpyridine; dmap; TurboGrignard; tetrabutyl ammonium fluoride; water; sodium carbonate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; lithium hydroxide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; methanol; dichloromethane; water; dimethyl sulfoxide; isopropyl alcohol; toluene; 1.1: Suzuki Coupling;