(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
Conditions | Yield |
---|---|
With water In water at 80℃; for 24h; Reagent/catalyst; Temperature; | 100% |
2-amino-4-thiazoleacetic acid
YM-208876
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
Conditions | Yield |
---|---|
Stage #1: 2-amino-4-thiazoleacetic acid; YM-208876 In water at 20℃; for 0.0833333h; Stage #2: With hydrogenchloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In water at 20℃; for 1h; Reagent/catalyst; Temperature; | 92.6% |
With hydrogenchloride; 1,2-dichloro-ethane In water at 30℃; for 5h; | 88.31% |
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In d7-N,N-dimethylformamide at 25℃; for 13h; Reagent/catalyst; | 84% |
With hydrogenchloride; dmap In water at 20℃; for 6h; | 79% |
Stage #1: 2-amino-4-thiazoleacetic acid; YM-208876 With hydrogenchloride In water at 25 - 30℃; for 0.25h; Stage #2: With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride at 25 - 30℃; Stage #3: With sodium hydroxide In water at 0 - 5℃; pH=9; | 144 g |
2-amino-4-thiazoleacetic acid
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
Conditions | Yield |
---|---|
With hydrogenchloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In water at 15 - 20℃; for 1h; pH=1.8 - 2; | 92% |
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In water at 20 - 25℃; for 4h; Concentration; | 82% |
With hydrogenchloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In water for 1h; |
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
Conditions | Yield |
---|---|
With hydrogenchloride In 1,4-dioxane; water at 20℃; for 10h; | 90.3% |
2-amino-4-thiazoleacetic acid
(R)-2-[ [2-(4-aminophenyl)ethyl]-amino]-1-phenylethanol monohydrochloride
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
Conditions | Yield |
---|---|
With hydrogenchloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In water at 28℃; for 3h; Concentration; | 84.5% |
Stage #1: 2-amino-4-thiazoleacetic acid; (R)-2-[ [2-(4-aminophenyl)ethyl]-amino]-1-phenylethanol monohydrochloride With hydrogenchloride In water at 25 - 30℃; Stage #2: With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In water at 25 - 30℃; for 2h; | 84% |
Stage #1: 2-amino-4-thiazoleacetic acid; (R)-2-[ [2-(4-aminophenyl)ethyl]-amino]-1-phenylethanol monohydrochloride With hydrogenchloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In water at 15 - 20℃; for 1h; Stage #2: With sodium hydroxide In water |
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
Conditions | Yield |
---|---|
With hydrazine hydrate In ethanol for 3h; Reflux; | 84% |
With hydrazine hydrate In ethanol for 3h; Reflux; | 84% |
2-amino-4-thiazoleacetic acid
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
Conditions | Yield |
---|---|
With hydrogenchloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In water at 20℃; for 1h; | 75.7% |
YM-208876
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
Conditions | Yield |
---|---|
With potassium carbonate In acetone at 10 - 15℃; | 70% |
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
Conditions | Yield |
---|---|
With sodium hydroxide at 55 - 60℃; for 3h; | 70% |
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
Conditions | Yield |
---|---|
With sodium hydroxide In 2-methyltetrahydrofuran; water pH=9; | 63% |
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
Conditions | Yield |
---|---|
With sodium hydroxide In 2-methyltetrahydrofuran; water pH=9; | 63% |
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
Conditions | Yield |
---|---|
With sodium hydroxide In 2-methyltetrahydrofuran; water pH=9; | 52% |
YM-208876
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
Conditions | Yield |
---|---|
Stage #1: 2-(2-aminothiazol-4-yl)acetic acid hydrochloride; YM-208876 With hydrogenchloride In water at 25 - 30℃; for 0.25h; Stage #2: With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride at 25 - 30℃; Stage #3: With sodium hydroxide In water at 0 - 5℃; pH=9; | 43 g |
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
Conditions | Yield |
---|---|
With sodium hydroxide In water at 25 - 30℃; | 43 mg |
4-tert-butoxycarbonylaminophenylacetonitrile
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
Conditions | Yield |
---|---|
Multi-step reaction with 5 steps 1.1: hydrogen; ammonia / water; methanol / 4 h / 25 - 30 °C / 2585.81 - 3102.97 Torr 2.1: dicyclohexyl-carbodiimide; benzotriazol-1-ol / 2-methyltetrahydrofuran / 2 h / 25 - 30 °C 3.1: hydrogenchloride / water; ethyl acetate / 4 h / 20 °C 4.1: sodium hydroxide / water / 10 - 15 °C / pH 9 - 10 4.2: 4 h / 5 - 65 °C / Inert atmosphere 4.3: 0.5 h / 5 - 10 °C 5.1: hydrogenchloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / water / 1 h / 15 - 20 °C / pH 1.8 - 2 View Scheme |
4-(2-aminoethyl)-N-(tert-butoxycarbonyl)phenylamine
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1.1: dicyclohexyl-carbodiimide; benzotriazol-1-ol / 2-methyltetrahydrofuran / 2 h / 25 - 30 °C 2.1: hydrogenchloride / water; ethyl acetate / 4 h / 20 °C 3.1: sodium hydroxide / water / 10 - 15 °C / pH 9 - 10 3.2: 4 h / 5 - 65 °C / Inert atmosphere 3.3: 0.5 h / 5 - 10 °C 4.1: hydrogenchloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / water / 1 h / 15 - 20 °C / pH 1.8 - 2 View Scheme |
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1.1: hydrogenchloride / water; ethyl acetate / 4 h / 20 °C 2.1: sodium hydroxide / water / 10 - 15 °C / pH 9 - 10 2.2: 4 h / 5 - 65 °C / Inert atmosphere 2.3: 0.5 h / 5 - 10 °C 3.1: hydrogenchloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / water / 1 h / 15 - 20 °C / pH 1.8 - 2 View Scheme |
4-Nitrophenylacetonitrile
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
Conditions | Yield |
---|---|
Multi-step reaction with 7 steps 1.1: hydrogen; palladium 10% on activated carbon / ethyl acetate / 20 - 25 °C / 2585.81 - 3102.97 Torr 2.1: ethyl acetate / 25 - 30 °C 3.1: hydrogen; ammonia / water; methanol / 4 h / 25 - 30 °C / 2585.81 - 3102.97 Torr 4.1: dicyclohexyl-carbodiimide; benzotriazol-1-ol / 2-methyltetrahydrofuran / 2 h / 25 - 30 °C 5.1: hydrogenchloride / water; ethyl acetate / 4 h / 20 °C 6.1: sodium hydroxide / water / 10 - 15 °C / pH 9 - 10 6.2: 4 h / 5 - 65 °C / Inert atmosphere 6.3: 0.5 h / 5 - 10 °C 7.1: hydrogenchloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / water / 1 h / 15 - 20 °C / pH 1.8 - 2 View Scheme | |
Multi-step reaction with 4 steps 1: hydrazine; palladium 10% on activated carbon / ethanol / 2 h / 25 °C / Inert atmosphere 2: hydrazine / 5 h / 25 - 60 °C / Inert atmosphere 3: acetonitrile / 10 h / 70 °C 4: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / d7-N,N-dimethylformamide / 13 h / 25 °C View Scheme | |
Multi-step reaction with 4 steps 1.1: diisobutylaluminium hydride / toluene / 2 h / 0 - 10 °C / Inert atmosphere 2.1: triethylamine / methanol / 2 h / 20 °C / Inert atmosphere 2.2: 1 h / 0 °C / Inert atmosphere 3.1: ammonium formate; palladium on activated charcoal / methanol / 6 h / 50 °C 4.1: hydrogenchloride; dmap / water / 6 h / 20 °C View Scheme |
phenylacetonitrile
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
Conditions | Yield |
---|---|
Multi-step reaction with 8 steps 1.1: nitric acid; phosphoric acid / water / 2 h / 0 - 25 °C 2.1: hydrogen; palladium 10% on activated carbon / ethyl acetate / 20 - 25 °C / 2585.81 - 3102.97 Torr 3.1: ethyl acetate / 25 - 30 °C 4.1: hydrogen; ammonia / water; methanol / 4 h / 25 - 30 °C / 2585.81 - 3102.97 Torr 5.1: dicyclohexyl-carbodiimide; benzotriazol-1-ol / 2-methyltetrahydrofuran / 2 h / 25 - 30 °C 6.1: hydrogenchloride / water; ethyl acetate / 4 h / 20 °C 7.1: sodium hydroxide / water / 10 - 15 °C / pH 9 - 10 7.2: 4 h / 5 - 65 °C / Inert atmosphere 7.3: 0.5 h / 5 - 10 °C 8.1: hydrogenchloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / water / 1 h / 15 - 20 °C / pH 1.8 - 2 View Scheme |
p-aminophenylacetonitrile
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
Conditions | Yield |
---|---|
Multi-step reaction with 6 steps 1.1: ethyl acetate / 25 - 30 °C 2.1: hydrogen; ammonia / water; methanol / 4 h / 25 - 30 °C / 2585.81 - 3102.97 Torr 3.1: dicyclohexyl-carbodiimide; benzotriazol-1-ol / 2-methyltetrahydrofuran / 2 h / 25 - 30 °C 4.1: hydrogenchloride / water; ethyl acetate / 4 h / 20 °C 5.1: sodium hydroxide / water / 10 - 15 °C / pH 9 - 10 5.2: 4 h / 5 - 65 °C / Inert atmosphere 5.3: 0.5 h / 5 - 10 °C 6.1: hydrogenchloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / water / 1 h / 15 - 20 °C / pH 1.8 - 2 View Scheme | |
Multi-step reaction with 3 steps 1: hydrazine / 5 h / 25 - 60 °C / Inert atmosphere 2: acetonitrile / 10 h / 70 °C 3: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / d7-N,N-dimethylformamide / 13 h / 25 °C View Scheme |
[2-(formylamino)-1,3-thiazol-4-yl]acetyl chloride
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: potassium carbonate / acetonitrile / 10 - 15 °C 2: sodium hydroxide / 3 h / 55 - 60 °C View Scheme | |
Multi-step reaction with 3 steps 1: potassium carbonate / dichloromethane / 10 - 15 °C 2: potassium carbonate / dichloromethane / 1 h / 25 - 30 °C 3: sodium hydroxide / 3 h / 55 - 60 °C View Scheme |
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: phosphorus pentachloride / dichloromethane / -10 °C 2: potassium carbonate / acetonitrile / 10 - 15 °C 3: sodium hydroxide / 3 h / 55 - 60 °C View Scheme | |
Multi-step reaction with 4 steps 1: phosphorus pentachloride / dichloromethane / -10 °C 2: potassium carbonate / dichloromethane / 10 - 15 °C 3: potassium carbonate / dichloromethane / 1 h / 25 - 30 °C 4: sodium hydroxide / 3 h / 55 - 60 °C View Scheme |
YM-208876
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; hydrogenchloride / water / 0.5 h / 25 - 30 °C 2: sodium hydroxide / 3 h / 55 - 60 °C View Scheme |
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: potassium carbonate / dichloromethane / 10 - 15 °C 2: potassium carbonate / dichloromethane / 1 h / 25 - 30 °C View Scheme |
2-amino-4-thiazoleacetic acid
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 0 - 5 °C 2: potassium carbonate / acetone / 10 - 15 °C View Scheme | |
Multi-step reaction with 3 steps 1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 0 - 5 °C 2: potassium carbonate / dichloromethane / 10 - 15 °C 3: potassium carbonate / dichloromethane / 1 h / 25 - 30 °C View Scheme | |
Multi-step reaction with 2 steps 1.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / water / 3 h / 20 - 25 °C 1.2: 1 h / 20 - 25 °C 2.1: sodium hydroxide / water; 2-methyltetrahydrofuran / pH 9 View Scheme |
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: potassium carbonate / dichloromethane / 1 h / 25 - 30 °C 2: sodium hydroxide / 3 h / 55 - 60 °C View Scheme |
YM-208876
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
Conditions | Yield |
---|---|
With potassium carbonate In dichloromethane at 25 - 30℃; for 1h; | 1 g |
(R)-Mandelic Acid
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: triethylamine; benzotriazol-1-ol; 1,2-dichloro-ethane / N,N-dimethyl-formamide / 6 h / 30 °C 2: 1,3-dimethyl-2-imidazolidinone; borane-THF / tetrahydrofuran / 4 h / 70 °C 3: ammonium formate; palladium 10% on activated carbon / methanol / 5 h / 65 °C / Reflux 4: hydrogenchloride; 1,2-dichloro-ethane / water / 5 h / 30 °C View Scheme |
(2R)-2-hydroxy-N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamide
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 1,3-dimethyl-2-imidazolidinone; borane-THF / tetrahydrofuran / 4 h / 70 °C 2: ammonium formate; palladium 10% on activated carbon / methanol / 5 h / 65 °C / Reflux 3: hydrogenchloride; 1,2-dichloro-ethane / water / 5 h / 30 °C View Scheme | |
Multi-step reaction with 3 steps 1: hydrogen; palladium 10% on activated carbon / methanol / 4 h / 20 - 25 °C 2: aluminum (III) chloride; lithium aluminium tetrahydride / tetrahydrofuran / 5 h / Reflux 3: hydrogenchloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / water / 1 h / 20 °C View Scheme |
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
Conditions | Yield |
---|---|
With hydrogenchloride In isopropyl alcohol at 75℃; for 0.25h; | 99% |
With hydrogenchloride In methanol; isopropyl alcohol at 20 - 25℃; for 3h; | 70 g |
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
citric acid
Conditions | Yield |
---|---|
In methanol at 20℃; for 2h; | 94.6% |
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
p-Coumaric Acid
Conditions | Yield |
---|---|
In methanol at 20℃; for 2h; | 94.4% |
Hippuric Acid
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
Conditions | Yield |
---|---|
In methanol at 20℃; for 2h; | 93.2% |
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
(2E)-but-2-enedioic acid
Conditions | Yield |
---|---|
In methanol at 20℃; for 2h; | 93% |
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
(2E)-but-2-enedioic acid
Conditions | Yield |
---|---|
In methanol at 15 - 40℃; for 7.83333h; | 90% |
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
n-tetradecanoic acid
Conditions | Yield |
---|---|
In methanol at 20℃; for 2h; | 89.2% |
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
oxalic acid
Conditions | Yield |
---|---|
In 2-methyltetrahydrofuran at 20 - 25℃; for 1h; | 88% |
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
citric acid
Conditions | Yield |
---|---|
In methanol at 15 - 40℃; for 7.83333h; | 88% |
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
L-Pyroglutamic acid
Conditions | Yield |
---|---|
In methanol at 15 - 40℃; for 7.83333h; | 86% |
In methanol; acetone at 20℃; for 1h; | 4.2 g |
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
Conditions | Yield |
---|---|
With phosphoric acid In methanol at 20℃; for 2h; | 83.9% |
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
benzoic acid
Conditions | Yield |
---|---|
In 2-methyltetrahydrofuran at 20 - 25℃; for 1h; | 83% |
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
tartaric acid
Conditions | Yield |
---|---|
In 2-methyltetrahydrofuran at 20 - 25℃; for 1h; | 83% |
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
Conditions | Yield |
---|---|
With magnesium(II) chloride hexahydrate In butan-1-ol at 85℃; for 0.25h; Solvent; | 79.5% |
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
orotic acid
Conditions | Yield |
---|---|
In methanol at 20℃; for 2h; | 79.2% |
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
succinic acid
Conditions | Yield |
---|---|
In 2-methyltetrahydrofuran at 20 - 25℃; for 1h; | 79% |
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
toluene-4-sulfonic acid
Conditions | Yield |
---|---|
In 2-methyltetrahydrofuran at 20 - 40℃; for 1.5h; | 70% |
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide
(R)-2-(4-(2-(2-aminothiazol-4-yl)ethylamino)phenethylamino)-1-phenylethanol
Conditions | Yield |
---|---|
Stage #1: (R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide With borane-THF In tetrahydrofuran at 0 - 50℃; for 2h; Stage #2: With hydrogenchloride In tetrahydrofuran; water Stage #3: With sodium hydroxide In tetrahydrofuran; water pH=10; | 9% |
Stage #1: (R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide With borane-THF In tetrahydrofuran at 0 - 50℃; for 2h; Stage #2: With sodium carbonate In water | 9% |
The Mirabegron, with the CAS registry number 223673-61-8, is also known as 4-Thiazoleacetamide, 2-amino-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-. It belongs to the product categories of Amines; Aromatics; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals; Sulfur & Selenium Compounds. This chemical's molecular formula is C21H24N4O2S and molecular weight is 396.51. What's more, its systematic name is 2-(2-Amino-1,3-thiazol-4-yl)-N-[4-(2-{[(2R)-2-hydroxy-2-phenylethyl]amino}ethyl)phenyl]acetamide. This chemical is a drug for the treatment of overactive bladder. It was developed by Astellas Pharma and was approved in the United States in July 2012.
Physical properties of Mirabegron are: (1)ACD/LogP: 2.889; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.09; (4)ACD/LogD (pH 7.4): 1.23; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 2.02; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 19.41; (9)#H bond acceptors: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 128.51 Å2; (13)Index of Refraction: 1.681; (14)Molar Refractivity: 114.159 cm3; (15)Molar Volume: 301.804 cm3; (16)Polarizability: 45.256×10-24cm3; (17)Surface Tension: 65.3 dyne/cm; (18)Density: 1.314 g/cm3; (19)Flash Point: 371.104 °C; (20)Enthalpy of Vaporization: 106.21 kJ/mol; (21)Boiling Point: 690.008 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccc(cc1)CCNC[C@H](O)c2ccccc2)Cc3nc(sc3)N
(2)Std. InChI: InChI=1S/C21H24N4O2S/c22-21-25-18(14-28-21)12-20(27)24-17-8-6-15(7-9-17)10-11-23-13-19(26)16-4-2-1-3-5-16/h1-9,14,19,23,26H,10-13H2,(H2,22,25)(H,24,27)/t19-/m0/s1
(3)Std. InChIKey: PBAPPPCECJKMCM-IBGZPJMESA-N
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