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CAS No.: | 182230-43-9 |
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Name: | (2R,3S/2S,3R)-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C16H14F3N5O |
Molecular Weight: | 349.315 |
Synonyms: | 4-Pyrimidineethanol, a-(2,4-difluorophenyl)-5-fluoro-b-methyl-a-(1H-1,2,4-triazol-1-ylmethyl)-;(2r,3s/2s,3r)-3-(5-Fluoro-6-Pyrimidinyl)-2-(2,4-Difluorophenyl)-1-(1h-1,2,4-Triazol- 1-Yl)-2- Butanol Hydrochloride; |
EINECS: | 605-961-5 |
Density: | 1.427 g/cm3 |
Boiling Point: | 508.578 °C at 760 mmHg |
Flash Point: | 261.379 °C |
PSA: | 76.72000 |
LogP: | 2.17690 |
2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
Conditions | Yield |
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With ammonium formate; palladium on carbon In toluene at 80℃; for 3h; | 92.5% |
3-(6-chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol
2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
Conditions | Yield |
---|---|
With 5% Pd/C; hydrogen; sodium acetate In methanol at 25 - 30℃; under 1500.15 - 3000.3 Torr; for 0.0833333h; | 85% |
With hydrogen; sodium acetate; Raney nickel In methanol at 54 - 56℃; under 2206.72 - 3677.86 Torr; for 5h; | 66.4% |
3-(4-chloro-5-fluoropyrimidin-6-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol hydrochloride salt
2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
Conditions | Yield |
---|---|
Stage #1: 3-(4-chloro-5-fluoropyrimidin-6-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol hydrochloride salt With palladium 10% on activated carbon; hydrogen; sodium acetate In methanol at 35 - 45℃; under 1500.15 - 3000.3 Torr; Large scale; Stage #2: With sodium hydroxide In water at 0 - 10℃; for 1h; Inert atmosphere; Large scale; | 76% |
1-(5-fluoropyrimidin-4-yl)ethyl-4-methyl benzenesulfonate
1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazolyl)ethanone
2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
Conditions | Yield |
---|---|
With zinc(II) chloride; zinc In tetrahydrofuran at 0 - 30℃; Product distribution / selectivity; |
C6H5FN2O
2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: sodium tetrahydroborate / ethanol / 5 h 2: triethylamine / dmap / dichloromethane / 20 - 30 °C 3: zinc; zinc(II) chloride / tetrahydrofuran / 0 - 30 °C View Scheme |
1-(2,6-dichloro-5-fluoropyrimidin-4-yl)ethanone
2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: hydrogen; sodium acetate / palladium on activated carbon / ethanol / 25 °C 2: sodium tetrahydroborate / ethanol / 5 h 3: triethylamine / dmap / dichloromethane / 20 - 30 °C 4: zinc; zinc(II) chloride / tetrahydrofuran / 0 - 30 °C View Scheme |
1-(5-fluoropyrimidin-4-yl)ethanol
2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: triethylamine / dmap / dichloromethane / 20 - 30 °C 2: zinc; zinc(II) chloride / tetrahydrofuran / 0 - 30 °C View Scheme |
2-chloro-1-(2,4-dichlorophenyl)ethanone
2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: potassium carbonate / tetrahydrofuran / 7 h / 20 °C 2: lead; zinc; iodine / tetrahydrofuran / -15 - 20 °C / Inert atmosphere 3: ammonium formate / palladium on carbon / toluene / 3 h / 80 °C View Scheme |
6-ethyl-5-fluoro-4-hydroxypyrimidine
2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
Conditions | Yield |
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Multi-step reaction with 4 steps 1: triethylamine / dichloromethane / 5 h / 20 °C 2: 2,2'-azobis(isobutyronitrile); N-Bromosuccinimide / dichloromethane / 12 h / 45 - 50 °C 3: lead; zinc; iodine / tetrahydrofuran / -15 - 20 °C / Inert atmosphere 4: ammonium formate / palladium on carbon / toluene / 3 h / 80 °C View Scheme |
6-ethyl-5-fluoropyrimidin-4-yl methanesulfonate
2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 2,2'-azobis(isobutyronitrile); N-Bromosuccinimide / dichloromethane / 12 h / 45 - 50 °C 2: lead; zinc; iodine / tetrahydrofuran / -15 - 20 °C / Inert atmosphere 3: ammonium formate / palladium on carbon / toluene / 3 h / 80 °C View Scheme |
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Molecular structure of (2R,3S/2S,3R)-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol (CAS NO.182230-43-9) is:
Product Name: (2R,3S/2S,3R)-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
CAS Registry Number: 182230-43-9
Molecular Formula: C16H14F3N5O
Molecular Weight: 349.31
(2R,3S/2S,3R)-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol , its cas register number is 182230-43-9. It also can be called 4-Pyrimidineethanol, a-(2,4-difluorophenyl)-5-fluoro-b-methyl-a-(1H-1,2,4-triazol-1-ylmethyl)- ; (2r,3s/2s,3r)-3-(5-Fluoro-6-Pyrimidinyl)-2-(2,4-Difluorophenyl)-1-(1h-1,2,4-Triazol- 1-Yl)-2- Butanol Hydrochloride .