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CAS No.: | 951127-25-6 |
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Name: | CPo3604-01 |
Article Data: | 38 |
Molecular Structure: | |
Formula: | C16H19F2NO4 |
Molecular Weight: | 327.328 |
Synonyms: | CPo3604-01;tert-butyl [(2R,3S)-5-oxo-2-(2,5-difluorophenyl)tetradihydro-2H-pyran-3-yl]carbaMate;tert-butyl [(2R,3S)-2-(2,5-difluorophenyl)-5-oxotetrahydro-2H-pvran-3 yl]carbaMate;tert-butyl ((2R,3S)-2-(2,5-difluorophenyl)-5-oxotetrahydro-2H-pyran-3-yl)carbaMate;N-[(2R,3S)-2-(2,5-difluorophenyl)tetrahydro-5-oxo-2H-pyran-3-yl]-CarbaMic acid 1,1-diMethylethyl ester;Product NaMe:MK-3102 interMediate;Omarigliptin inter. OG-1;Carbamic acid, N-[(2R,3S)-2-(2,5-difluorophenyl)tetrahydro-5-oxo-2H-pyran-3-yl]-, 1,1-dimethylethyl ester |
EINECS: | -0 |
Density: | 1.25±0.1 g/cm3(Predicted) |
Boiling Point: | 433.4±45.0 °C(Predicted) |
PSA: | 64.63000 |
LogP: | 3.27950 |
N-[(2R,3S)-2-(2,5-difluorophenyl)tetrahydro-5-oxo-2H-pyran-3-yl]carbamic acid 1,1-dimethylethyl ester
Conditions | Yield |
---|---|
With hydrogenchloride In water; ethyl acetate at 20℃; | 95% |
tert-butyl ((2R,3S)-2-(2,5-difluorophenyl)-5-hydroxytetrahydro-2H-pyran-3-yl)carbamate
N-[(2R,3S)-2-(2,5-difluorophenyl)tetrahydro-5-oxo-2H-pyran-3-yl]carbamic acid 1,1-dimethylethyl ester
Conditions | Yield |
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With Dess-Martin periodane In dichloromethane at 0 - 30℃; for 4h; | 94.7% |
With Dess-Martin periodane In dichloromethane at 0 - 20℃; for 4h; | 94.7% |
With Dess-Martin periodane In dichloromethane at 0 - 4℃; for 4h; | 94.7% |
N-[(2R,3S)-2-(2,5-difluorophenyl)tetrahydro-5-oxo-2H-pyran-3-yl]carbamic acid 1,1-dimethylethyl ester
Conditions | Yield |
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With zinc(II) chloride In ethanol at 0℃; Inert atmosphere; Large scale; | 93.5% |
[(2R,3S)-5-methylene-2-(2,5-difluorophenyl)tetrahydro-2H-pyran-3-yl]carbamic acid tert-butyl ester
N-[(2R,3S)-2-(2,5-difluorophenyl)tetrahydro-5-oxo-2H-pyran-3-yl]carbamic acid 1,1-dimethylethyl ester
Conditions | Yield |
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With sodium periodate; ruthenium(III) chloride trihydrate In dichloromethane; water; acetonitrile at 25℃; for 3h; | 84% |
With sodium periodate; rhodium(III) chloride | |
With sodium periodate; osmium(VIII) oxide In 1,4-dioxane; water at 0℃; for 2h; |
N-[(2R,3S)-2-(2,5-difluorophenyl)tetrahydro-5-oxo-2H-pyran-3-yl]carbamic acid 1,1-dimethylethyl ester
Conditions | Yield |
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With bis-[(trifluoroacetoxy)iodo]benzene In water; acetonitrile at 20℃; for 1h; | 79% |
With bis-[(trifluoroacetoxy)iodo]benzene In water; acetonitrile at 20℃; for 0.5h; | 79% |
With bis-[(trifluoroacetoxy)iodo]benzene In water; acetonitrile at 20℃; for 1h; | 79% |
[(2R,3S)-5-hydroxy-5-hydroxymethyl-2-(2,5-difluorophenyl)tetrahydro-2H-pyran-3-yl]carbamic acid tert-butyl ester
N-[(2R,3S)-2-(2,5-difluorophenyl)tetrahydro-5-oxo-2H-pyran-3-yl]carbamic acid 1,1-dimethylethyl ester
Conditions | Yield |
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With pyridine; lead(IV) acetate In methanol for 0.333333h; | |
With pyridine; lead(IV) acetate In methanol at 0℃; for 0.333333h; | |
With pyridine; lead(IV) tetraacetate In methanol at 0℃; for 0.333333h; |
2,5-difluorobenzoyl chloride
N-[(2R,3S)-2-(2,5-difluorophenyl)tetrahydro-5-oxo-2H-pyran-3-yl]carbamic acid 1,1-dimethylethyl ester
Conditions | Yield |
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Multi-step reaction with 8 steps 1: N-ethyl-N,N-diisopropylamine 2: sodium hydride 3: Heating 4: sodium tetrahydroborate 5: Chiralpak 1A / ethanol; hexane / Resolution of racemate 6: zinc; hydrogenchloride / water 7: ChiralCel AD 8: rhodium(III) chloride; sodium periodate View Scheme | |
Multi-step reaction with 9 steps 1: N-ethyl-N,N-diisopropylamine 2: sodium hydride 3: Heating 4: sodium tetrahydroborate 5: 1,8-diazabicyclo[5.4.0]undec-7-ene / methanol 6: Chiralpak 1A / ethanol; hexane / Resolution of racemate 7: zinc; hydrogenchloride / water 8: ChiralCel AD 9: rhodium(III) chloride; sodium periodate View Scheme |
N-[(2R,3S)-2-(2,5-difluorophenyl)tetrahydro-5-oxo-2H-pyran-3-yl]carbamic acid 1,1-dimethylethyl ester
Conditions | Yield |
---|---|
Multi-step reaction with 7 steps 1: sodium hydride 2: Heating 3: sodium tetrahydroborate 4: Chiralpak 1A / ethanol; hexane / Resolution of racemate 5: zinc; hydrogenchloride / water 6: ChiralCel AD 7: rhodium(III) chloride; sodium periodate View Scheme | |
Multi-step reaction with 8 steps 1: sodium hydride 2: Heating 3: sodium tetrahydroborate 4: 1,8-diazabicyclo[5.4.0]undec-7-ene / methanol 5: Chiralpak 1A / ethanol; hexane / Resolution of racemate 6: zinc; hydrogenchloride / water 7: ChiralCel AD 8: rhodium(III) chloride; sodium periodate View Scheme |
6-(2,5-difluorophenyl)-3-methylidene-5-nitro-3,4-dihydro-2H-pyran
N-[(2R,3S)-2-(2,5-difluorophenyl)tetrahydro-5-oxo-2H-pyran-3-yl]carbamic acid 1,1-dimethylethyl ester
Conditions | Yield |
---|---|
Multi-step reaction with 5 steps 1: sodium tetrahydroborate 2: Chiralpak 1A / ethanol; hexane / Resolution of racemate 3: zinc; hydrogenchloride / water 4: ChiralCel AD 5: rhodium(III) chloride; sodium periodate View Scheme | |
Multi-step reaction with 6 steps 1: sodium tetrahydroborate 2: 1,8-diazabicyclo[5.4.0]undec-7-ene / methanol 3: Chiralpak 1A / ethanol; hexane / Resolution of racemate 4: zinc; hydrogenchloride / water 5: ChiralCel AD 6: rhodium(III) chloride; sodium periodate View Scheme | |
Multi-step reaction with 5 steps 1: sodium tetrahydroborate / methanol / 1 h / 0 - 5 °C 2: hydrogenchloride; zinc / water; ethanol / 1 h / 0 °C 3: methanol / 15 h / 25 °C 4: sodium carbonate / water; acetonitrile / 2 h / 0 - 30 °C 5: sodium periodate; ruthenium(III) chloride trihydrate / water; acetonitrile; dichloromethane / 3 h / 25 °C View Scheme |
N-[(2R,3S)-2-(2,5-difluorophenyl)tetrahydro-5-oxo-2H-pyran-3-yl]carbamic acid 1,1-dimethylethyl ester
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: Chiralpak 1A / ethanol; hexane / Resolution of racemate 2: zinc; hydrogenchloride / water 3: ChiralCel AD 4: rhodium(III) chloride; sodium periodate View Scheme | |
Multi-step reaction with 4 steps 1: zinc; acetic acid / ethanol / 1 h 2: dichloromethane / 20 h / 20 °C 3: Chiralpak IA / Resolution of racemate 4: sodium periodate; osmium(VIII) oxide / 1,4-dioxane; water / 2 h / 0 °C View Scheme |