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CAS No.: | 147118-37-4 |
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Name: | 4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-N-methylsulfonyl)amino]pyrimidinyl-5-yl-formyl |
Article Data: | 29 |
Molecular Structure: | |
Formula: | C16H18FN3O3S |
Molecular Weight: | 351.402 |
Synonyms: | N-[4-(4-Fluorophenyl)-5-formyl-6-(1-methylethyl)-2-pyrimidinyl]-N-methylmethanesulfonamide;Methanesulfonamide,N-[4-(4-fluorophenyl)-5-formyl-6-(1-methylethyl)-2-pyrimidinyl]-N-methyl-;Rosuvastatin intermediate Z8; |
EINECS: | 604-564-4 |
Density: | 1.32 g/cm3 |
Melting Point: | 178.0 to 182.0 °C |
Boiling Point: | 536.594 °C at 760 mmHg |
Flash Point: | 278.322 °C |
PSA: | 88.61000 |
LogP: | 3.69520 |
N-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-(propan-2-yl)pyrimidin-2-yl]-N-methylmethanesulfonamide
N-[4-(4-fluorophenyl)-5-formyl-6-isopropylpyrimidin-2-yl]-N-methylmethanesulfonamide
Conditions | Yield |
---|---|
With 1-methyl-1H-imidazole; [2,2]bipyridinyl; tetrakis(acetonitrile)copper(I) trifluoromethanesulfonate; 9-azabicyclo<3.3.1>nonane-N-oxyl In acetonitrile at 20 - 50℃; for 2h; Sealed tube; | 99% |
With fluorosulfonyl fluoride; potassium carbonate; dimethyl sulfoxide at 20℃; for 2h; Sealed tube; chemoselective reaction; | 99% |
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; copper(II) nitrate trihydrate In 2-methyltetrahydrofuran at 40℃; for 18h; Temperature; Reagent/catalyst; Solvent; | 99% |
4-(4-fluorophenyl)-6-isopropyl-2-[(N-methyl-N-methylsulfonyl)amino]pyrimidine-5-carbonitrile
N-[4-(4-fluorophenyl)-5-formyl-6-isopropylpyrimidin-2-yl]-N-methylmethanesulfonamide
Conditions | Yield |
---|---|
With formic acid for 2h; Time; Reflux; | 95% |
With diisobutylaluminium hydride In toluene at -5℃; for 1h; | 81% |
Stage #1: 4-(4-fluorophenyl)-6-isopropyl-2-[(N-methyl-N-methylsulfonyl)amino]pyrimidine-5-carbonitrile With diisobutylaluminium hydride In dichloromethane at 0 - 5℃; Inert atmosphere; Stage #2: With hydrogenchloride In dichloromethane; water at 0 - 30℃; | 80.3% |
N-[5-[1,3]dioxolane-2-yl-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl]-N-methylmethanesulfonamide
N-[4-(4-fluorophenyl)-5-formyl-6-isopropylpyrimidin-2-yl]-N-methylmethanesulfonamide
Conditions | Yield |
---|---|
With acetic acid In water at 60 - 70℃; for 0.166667h; | 93% |
N-[5-(bromomethyl)-4-(4-fluorophenyl)-6-(propan-2-yl)pyrimidin-2-yl]-N-methylmethanesulfonamide
N-[4-(4-fluorophenyl)-5-formyl-6-isopropylpyrimidin-2-yl]-N-methylmethanesulfonamide
Conditions | Yield |
---|---|
Stage #1: N-[5-(bromomethyl)-4-(4-fluorophenyl)-6-(propan-2-yl)pyrimidin-2-yl]-N-methylmethanesulfonamide With sodium hydrogencarbonate; dimethyl sulfoxide; sodium iodide for 25h; Kornblum Oxydation; Stage #2: With acetic anhydride; dimethyl sulfoxide at 70℃; | 93% |
Multi-step reaction with 2 steps 1: sodium hydrogencarbonate; water / acetonitrile / 4 h / Reflux 2: acetic anhydride; dimethyl sulfoxide / 85 °C View Scheme | |
Multi-step reaction with 2 steps 1: water / tetrahydrofuran / 6 h / Reflux 2: acetic anhydride; dimethyl sulfoxide / 17 h / 85 °C View Scheme |
A
tert-butyl 2-[(4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate
B
N-[4-(4-fluorophenyl)-5-formyl-6-isopropylpyrimidin-2-yl]-N-methylmethanesulfonamide
Conditions | Yield |
---|---|
Stage #1: C29H40FN3O6S With ozone In methanol; dichloromethane at 25℃; for 5h; Stage #2: With thiourea In methanol; dichloromethane; water Temperature; Time; | A n/a B 82.2% |
ethyl 2-(N-methyl-N-methanesulfonylamino)-4-(4-fluorophenyl)-6-isopropyl-pyrimidin-5-carboxylic acid
N-[4-(4-fluorophenyl)-5-formyl-6-isopropylpyrimidin-2-yl]-N-methylmethanesulfonamide
Conditions | Yield |
---|---|
With lithium borohydride In tetrahydrofuran at 0 - 5℃; for 4h; | 80% |
Multi-step reaction with 2 steps 1: 277 mg / DIBAL-H / toluene / 1 h / -74 °C 2: 71.2 percent / 4-methylmorpholine-N-oxide, tetrapropyl-ammonium perruthenate, molecular sieves 4 Angstroem / CH2Cl2 / 2 h View Scheme |
4-(4-fluorophenyl)-6-isopropyl-2-[(N-methyl-N-methanesulfonyl)amino]pyrimidine
N,N-dimethyl-formamide
N-[4-(4-fluorophenyl)-5-formyl-6-isopropylpyrimidin-2-yl]-N-methylmethanesulfonamide
Conditions | Yield |
---|---|
With trichlorophosphate at 90 - 108℃; Temperature; | 72% |
With trichlorophosphate at 90 - 108℃; | 72% |
4-(4-fluorophenyl)-6-isopropyl-2-[(N-methyl-N-methanesulfonyl)amino]pyrimidine
N-[4-(4-fluorophenyl)-5-formyl-6-isopropylpyrimidin-2-yl]-N-methylmethanesulfonamide
Conditions | Yield |
---|---|
With N,N-dimethyl-formamide; trichlorophosphate at 90 - 108℃; Temperature; Concentration; | 72% |
4-(4-fluorophenyl)-6-isopropyl-2-(methylamino)pyrimidine-5-carbaldehyde
methanesulfonyl chloride
N-[4-(4-fluorophenyl)-5-formyl-6-isopropylpyrimidin-2-yl]-N-methylmethanesulfonamide
Conditions | Yield |
---|---|
Stage #1: 4-(4-fluorophenyl)-6-isopropyl-2-(methylamino)pyrimidine-5-carbaldehyde With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.5h; Stage #2: methanesulfonyl chloride In N,N-dimethyl-formamide at 0 - 20℃; for 3.5h; | 55% |
Stage #1: 4-(4-fluorophenyl)-6-isopropyl-2-(methylamino)pyrimidine-5-carbaldehyde With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.5h; Stage #2: methanesulfonyl chloride In N,N-dimethyl-formamide at 0 - 20℃; for 3.5h; Product distribution / selectivity; | 55% |
With triethylamine In dichloromethane at 0 - 20℃; for 2h; Product distribution / selectivity; | 30% |
N-(4-(4-fluorophenyl)-6-isopropyl-5-(prop-1-enyl)pyrimidin-2-yl)-N-methylmethanesulfonamide
N-[4-(4-fluorophenyl)-5-formyl-6-isopropylpyrimidin-2-yl]-N-methylmethanesulfonamide
Conditions | Yield |
---|---|
With oxone; water; sodium hydrogencarbonate; ruthenium(III) trichloride hydrate In acetonitrile at 20℃; for 24h; | 40% |
With Oxone; sodium hydrogencarbonate; ruthenium(III) trichloride hydrate In water; acetonitrile at 20℃; for 24h; | 40% |
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Molecular structure of 4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-N-methylsulfonyl)amino]pyrimidinyl-5-yl-formyl (CAS NO.147118-37-4) is:
Product Name: 4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-N-methylsulfonyl)amino]pyrimidinyl-5-yl-formyl
CAS Registry Number: 147118-37-4
Molecular Formula: C16H18FN3O3S
Molecular Weight: 351.39
Surface Tension: 53.975 dyne/cm
Density: 1.32 g/cm3
Flash Point: 278.322 °C
Enthalpy of Vaporization: 81.332 kJ/mol
Boiling Point: 536.594 °C at 760 mmHg
Product Categories: Rosuvastatin Calcium and its intermediates
4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-N-methylsulfonyl)amino]pyrimidinyl-5-yl-formyl , its cas register number is 147118-37-4. It also can be called Methanesulfonamide,N-[4-(4-fluorophenyl)-5-formyl-6-(1-methylethyl)-2-pyrimidinyl]-N-methyl- ; N-[4-(4-Fluorophenyl)-5-formyl-6-(1-methylethyl)-2-pyrimidinyl-N-methyl-methanesulfonamide .