(3S)-3-(3-chloro-5-(1-cyanocyclobutyl)phenyl)-3-(2-(3-hydroxy-5-((5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino)benzamido)acetamido)propanoic acid

Base Information

Chemical Name:(3S)-3-(3-chloro-5-(1-cyanocyclobutyl)phenyl)-3-(2-(3-hydroxy-5-((5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino)benzamido)acetamido)propanoic acid
CAS No.:1541197-31-2
Molecular Formula:C₂₇H₂₉ClN₆O₆
Molecular Weight:569.017
Hs Code.:

(3S)-3-(3-chloro-5-(1-cyanocyclobutyl)phenyl)-3-(2-(3-hydroxy-5-((5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino)benzamido)acetamido)propanoic acid

Synonyms:(3S)-3-(3-chloro-5-(1-cyanocyclobutyl)phenyl)-3-(2-(3-hydroxy-5-((5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino)benzamido)acetamido)propanoic acid

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Chemical Property of (3S)-3-(3-chloro-5-(1-cyanocyclobutyl)phenyl)-3-(2-(3-hydroxy-5-((5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino)benzamido)acetamido)propanoic acid

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Technology Process of (3S)-3-(3-chloro-5-(1-cyanocyclobutyl)phenyl)-3-(2-(3-hydroxy-5-((5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino)benzamido)acetamido)propanoic acid

There total 16 articles about (3S)-3-(3-chloro-5-(1-cyanocyclobutyl)phenyl)-3-(2-(3-hydroxy-5-((5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino)benzamido)acetamido)propanoic acid 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:

: 1541199-26-1
(3S)-ethyl 3-(3-chloro-5-(1-cyanocyclobutyl)phenyl)-3-(2-(3-hydroxy-5-((5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino)benzamido)acetamido)propanoate

: 1541197-31-2
(3S)-3-(3-chloro-5-(1-cyanocyclobutyl)phenyl)-3-(2-(3-hydroxy-5-((5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino)benzamido)acetamido)propanoic acid

Guidance literature:: With lithium hydroxide monohydrate; In water; acetonitrile; at 20 ℃; for 16h;

Reference yield:

: 765-85-5
methyl cyclobutanecarboxylate

: 1541197-31-2
(3S)-3-(3-chloro-5-(1-cyanocyclobutyl)phenyl)-3-(2-(3-hydroxy-5-((5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino)benzamido)acetamido)propanoic acid

Guidance literature:: Multi-step reaction with 10 steps

1.1: n-butyllithium; N-cyclohexyl-cyclohexanamine / hexane; toluene / 0.25 h / 0 - 25 °C / Inert atmosphere

1.2: 1 h / Inert atmosphere

2.1: water; sodium hydroxide / methanol / 3 h / 80 °C

3.1: tert-butyl chloroformate; triethylamine / tetrahydrofuran / 2 h / 0 - 20 °C / Inert atmosphere

4.1: trifluoroacetic anhydride; triethylamine / dichloromethane / 0 - 20 °C / Inert atmosphere

5.1: toluene-4-sulfonic acid / acetone / 14 h / 20 °C / Inert atmosphere

6.1: ammonium acetate / ethanol / 7 h / 80 °C

7.1: potassium dihydrogenphosphate; Amano Lipase PS; sodium hydroxide / water / 120 h / 20 °C / pH 8.25 / Enzymatic reaction

7.2: 0.25 h / 20 °C

8.1: hydrogenchloride / 2 h / Reflux; Inert atmosphere

9.1: benzotriazol-1-ol / N,N-dimethyl-formamide; dichloromethane / 0.17 h / 20 °C / Inert atmosphere

9.2: 19 h / 20 °C / Inert atmosphere

10.1: lithium hydroxide monohydrate / acetonitrile; water / 16 h / 20 °C

With hydrogenchloride; potassium dihydrogenphosphate; n-butyllithium; Amano Lipase PS; lithium hydroxide monohydrate; ammonium acetate; water; benzotriazol-1-ol; toluene-4-sulfonic acid; tert-butyl chloroformate; triethylamine; N-cyclohexyl-cyclohexanamine; trifluoroacetic anhydride; sodium hydroxide; In tetrahydrofuran; methanol; ethanol; hexane; dichloromethane; water; N,N-dimethyl-formamide; acetone; toluene; acetonitrile;

Reference yield:

: 1541198-24-6
C₁₄H₁₆ClNO₃

: 1541197-31-2
(3S)-3-(3-chloro-5-(1-cyanocyclobutyl)phenyl)-3-(2-(3-hydroxy-5-((5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino)benzamido)acetamido)propanoic acid

Guidance literature:: Multi-step reaction with 7 steps

1.1: trifluoroacetic anhydride; triethylamine / dichloromethane / 0 - 20 °C / Inert atmosphere

2.1: toluene-4-sulfonic acid / acetone / 14 h / 20 °C / Inert atmosphere

3.1: ammonium acetate / ethanol / 7 h / 80 °C

4.1: potassium dihydrogenphosphate; Amano Lipase PS; sodium hydroxide / water / 120 h / 20 °C / pH 8.25 / Enzymatic reaction

4.2: 0.25 h / 20 °C

5.1: hydrogenchloride / 2 h / Reflux; Inert atmosphere

6.1: benzotriazol-1-ol / N,N-dimethyl-formamide; dichloromethane / 0.17 h / 20 °C / Inert atmosphere

6.2: 19 h / 20 °C / Inert atmosphere

7.1: lithium hydroxide monohydrate / acetonitrile; water / 16 h / 20 °C

With hydrogenchloride; potassium dihydrogenphosphate; Amano Lipase PS; lithium hydroxide monohydrate; ammonium acetate; benzotriazol-1-ol; toluene-4-sulfonic acid; triethylamine; trifluoroacetic anhydride; sodium hydroxide; In ethanol; dichloromethane; water; N,N-dimethyl-formamide; acetone; acetonitrile;