N-(((2S,4R)-2-(2,4-difluoro-5-(pyrimidin-5-yl)phenyl)-4-(3,5-dimethylisoxazol-4-yl)-4-hydroxybutan-2-yl)carbamothioyl)benzamide

Base Information

Chemical Name:N-(((2S,4R)-2-(2,4-difluoro-5-(pyrimidin-5-yl)phenyl)-4-(3,5-dimethylisoxazol-4-yl)-4-hydroxybutan-2-yl)carbamothioyl)benzamide
CAS No.:1616100-70-9
Molecular Formula:C₂₇H₂₅F₂N₅O₃S
Molecular Weight:537.59
Hs Code.:

Synonyms:N-(((2S,4R)-2-(2,4-difluoro-5-(pyrimidin-5-yl)phenyl)-4-(3,5-dimethylisoxazol-4-yl)-4-hydroxybutan-2-yl)carbamothioyl)benzamide

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Chemical Property of N-(((2S,4R)-2-(2,4-difluoro-5-(pyrimidin-5-yl)phenyl)-4-(3,5-dimethylisoxazol-4-yl)-4-hydroxybutan-2-yl)carbamothioyl)benzamide

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Technology Process of N-(((2S,4R)-2-(2,4-difluoro-5-(pyrimidin-5-yl)phenyl)-4-(3,5-dimethylisoxazol-4-yl)-4-hydroxybutan-2-yl)carbamothioyl)benzamide

There total 13 articles about N-(((2S,4R)-2-(2,4-difluoro-5-(pyrimidin-5-yl)phenyl)-4-(3,5-dimethylisoxazol-4-yl)-4-hydroxybutan-2-yl)carbamothioyl)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: 69.6%

: 1616100-69-6
(1R,3S)-3-amino-3-(2,4-difluoro-5-(pyrimidin-5-yl)phenyl)-1-(3,5-dimethylisoxazol-4-yl)butan-1-ol

: 532-55-8
Benzoyl isothiocyanate

: 1616100-70-9
N-(((2S,4R)-2-(2,4-difluoro-5-(pyrimidin-5-yl)phenyl)-4-(3,5-dimethylisoxazol-4-yl)-4-hydroxybutan-2-yl)carbamothioyl)benzamide

Guidance literature:: In dichloromethane; at 20 ℃; for 0.5h;

Reference yield:

: 1616100-68-5
(R)-N-((2S,4R)-2-(2,4-difluoro-5-(pyrimidin-5-yl)phenyl)-4-(3,5-dimethylisoxazol-4-yl)-4-hydroxybutan-2-yl)-2-methylpropane-2-sulfinamide

: 1616100-70-9
N-(((2S,4R)-2-(2,4-difluoro-5-(pyrimidin-5-yl)phenyl)-4-(3,5-dimethylisoxazol-4-yl)-4-hydroxybutan-2-yl)carbamothioyl)benzamide

Guidance literature:: Multi-step reaction with 2 steps

1: hydrogenchloride / dichloromethane / 0.17 h / 20 °C

2: dichloromethane / 0.5 h / 20 °C

With hydrogenchloride; In dichloromethane;

Reference yield:

: 1415208-99-9
2,4-difluoro-5-(pyrimidin-5-yl)benzaldehyde

: 1616100-70-9
N-(((2S,4R)-2-(2,4-difluoro-5-(pyrimidin-5-yl)phenyl)-4-(3,5-dimethylisoxazol-4-yl)-4-hydroxybutan-2-yl)carbamothioyl)benzamide

Guidance literature:: Multi-step reaction with 7 steps

1.1: diethyl ether / 15 h / 20 - 75 °C

2.1: oxalyl dichloride; dimethyl sulfoxide / dichloromethane / 0.5 h / -78 °C

2.2: 0.5 h / -78 - 20 °C

3.1: tetrahydrofuran / 20 h / 65 °C

4.1: n-butyllithium / tetrahydrofuran / 0.33 h / -78 °C

4.2: -78 - -40 °C

5.1: lithium tri-t-butoxyaluminum hydride / diethyl ether / 0.83 h / -78 °C

6.1: hydrogenchloride / dichloromethane / 0.17 h / 20 °C

7.1: dichloromethane / 0.5 h / 20 °C

With hydrogenchloride; n-butyllithium; oxalyl dichloride; dimethyl sulfoxide; lithium tri-t-butoxyaluminum hydride; In tetrahydrofuran; diethyl ether; dichloromethane;