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Cas Database |
| Name |
4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-n-methylsulfonyl)amino]pyrimidine-5-yl-methanol |
EINECS | 604-563-9 |
| CAS No. | 147118-36-3 | Density | 1.317 g/cm3 |
| PSA | 91.77000 | LogP | 3.37500 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C16H20FN3O3S | Boiling Point | 538.273 °C at 760 mmHg |
| Molecular Weight | 353.418 | Flash Point | 279.338 °C |
| Transport Information | N/A | Appearance | White or off-white powder |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
5-(Hydroxymethyl)-4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidine;Methanesulfonamide,N-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-(1-methylethyl)-2-pyrimidinyl]-N-methyl-; |
Article Data | 25 |
4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-n-methylsulfonyl)amino]pyrimidine-5-yl-methanol Synthetic route
- 289042-11-1
methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate
- 147118-36-3
N-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-(propan-2-yl)pyrimidin-2-yl]-N-methylmethanesulfonamide
| Conditions | Yield |
|---|---|
| Stage #1: methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate With diisobutylaluminium hydride In hexane; toluene at -10℃; for 1h; Stage #2: With hydrogenchloride In methanol; hexane; water; toluene at -10 - 40℃; for 0.333333h; | 100% |
| Stage #1: methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate With sodium tetrahydroborate; boron trifluoride diethyl etherate In tetrahydrofuran at 0 - 60℃; for 20h; Stage #2: With hydrogenchloride In tetrahydrofuran; water for 1.5h; Temperature; Reagent/catalyst; Solvent; | 96.7% |
| Stage #1: methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate With diisobutylaluminium hydride In toluene at -15 - -5℃; for 2 - 2.5h; Stage #2: With hydrogenchloride; water In toluene at -10 - 40℃; for 1 - 1.33333h; Stage #3: With sodium hydrogencarbonate In water; ethyl acetate Product distribution / selectivity; | 93% |
- 799842-07-2
N-[5-(bromomethyl)-4-(4-fluorophenyl)-6-(propan-2-yl)pyrimidin-2-yl]-N-methylmethanesulfonamide
- 147118-36-3
N-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-(propan-2-yl)pyrimidin-2-yl]-N-methylmethanesulfonamide
| Conditions | Yield |
|---|---|
| With water In tetrahydrofuran for 6h; Reflux; | 100% |
| With oxygen; eosin y In dimethyl sulfoxide at 40℃; Irradiation; | 82% |
| With water; sodium hydrogencarbonate In acetonitrile for 4h; Reflux; | |
| With water; sodium hydrogencarbonate In acetonitrile for 4h; Reflux; | |
| With sodium hydrogencarbonate In acetonitrile for 4h; Reflux; |
- 147118-37-4
N-[4-(4-fluorophenyl)-5-formyl-6-isopropylpyrimidin-2-yl]-N-methylmethanesulfonamide
- 147118-36-3
N-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-(propan-2-yl)pyrimidin-2-yl]-N-methylmethanesulfonamide
| Conditions | Yield |
|---|---|
| With methanol; sodium tetrahydroborate In tetrahydrofuran at 5 - 25℃; for 2h; | 98% |
| With methanol; sodium tetrahydroborate In tetrahydrofuran at 5 - 10℃; | |
| With methanol; sodium tetrahydroborate In tetrahydrofuran at 0 - 20℃; for 1h; |
- 1263475-93-9
4-(4-fluorophenyl)-6-isopropyl-2-(methanesulfonyl(methyl)amino)pyrimidine-5-carboxylic acid
- 147118-36-3
N-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-(propan-2-yl)pyrimidin-2-yl]-N-methylmethanesulfonamide
| Conditions | Yield |
|---|---|
| With lithium borohydride; boron trifluoride diethyl etherate In tetrahydrofuran at -5 - 20℃; for 4h; Reagent/catalyst; Temperature; | 97.8% |
| With chloro-trimethyl-silane; potassium borohydride In tetrahydrofuran at 65℃; for 30h; Temperature; Reagent/catalyst; Inert atmosphere; | 97% |
| Stage #1: 4-(4-fluorophenyl)-6-isopropyl-2-(methanesulfonyl(methyl)amino)pyrimidine-5-carboxylic acid With potassium borohydride In tetrahydrofuran for 0.0833333h; Cooling with ice; Stage #2: With aluminum (III) chloride In tetrahydrofuran at 74℃; for 4.08333h; Reagent/catalyst; | 97.9% |
| With sodium tetrahydroborate; boron trifluoride diethyl etherate In tetrahydrofuran at -5 - 30℃; Reagent/catalyst; Temperature; | 96.4% |
| With sodium tetrahydroborate; chloro-trimethyl-silane In tetrahydrofuran for 24h; Reagent/catalyst; Reflux; Inert atmosphere; | 92% |
- 147118-36-3
N-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-(propan-2-yl)pyrimidin-2-yl]-N-methylmethanesulfonamide
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate In methanol for 4h; | 88.1% |
- 147118-30-7
ethyl 2-(N-methyl-N-methanesulfonylamino)-4-(4-fluorophenyl)-6-isopropyl-pyrimidin-5-carboxylic acid
- 147118-36-3
N-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-(propan-2-yl)pyrimidin-2-yl]-N-methylmethanesulfonamide
| Conditions | Yield |
|---|---|
| Stage #1: ethyl 2-(N-methyl-N-methanesulfonylamino)-4-(4-fluorophenyl)-6-isopropyl-pyrimidin-5-carboxylic acid With diisobutylaluminium hydride In toluene at -78 - 0℃; Inert atmosphere; Stage #2: With water In toluene | 81% |
| With diisobutylaluminium hydride In toluene at -74℃; for 1h; | 277 mg |
| Multi-step reaction with 2 steps 1: lithium hydroxide monohydrate / water; methanol / 60 - 70 °C 2: lithium borohydride; boron trifluoride diethyl etherate / tetrahydrofuran / 4 h / -5 - 20 °C View Scheme | |
| Multi-step reaction with 2 steps 1: lithium hydroxide monohydrate; water / methanol / 60 - 70 °C 2: sodium tetrahydroborate; boron trifluoride diethyl etherate / tetrahydrofuran / -5 - 30 °C View Scheme |
- 459-57-4
4-fluorobenzaldehyde
- 147118-36-3
N-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-(propan-2-yl)pyrimidin-2-yl]-N-methylmethanesulfonamide
| Conditions | Yield |
|---|---|
| Multi-step reaction with 6 steps 1: 86.7 percent / piperidine, AcOH / benzene / Heating 2: 1.) HMPA, 2.) DDQ / 1.) 100 deg C, 22 h, 2.) benzene, 30 min 3: 95.7 percent / m-CPBA / CHCl3 / Ambient temperature 4: 46.9 g / ethanol / 1 h / Ambient temperature 5: 1.) NaH / 1.) DMF, 30 min, 2.) DMF, RT, 2 h 6: 277 mg / DIBAL-H / toluene / 1 h / -74 °C View Scheme |
- 122930-45-4
(E)-2-<(4-fluorophenyl)methylene>-4-methyl-3-oxopentanoic acid ethyl ester
- 147118-36-3
N-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-(propan-2-yl)pyrimidin-2-yl]-N-methylmethanesulfonamide
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1: 1.) HMPA, 2.) DDQ / 1.) 100 deg C, 22 h, 2.) benzene, 30 min 2: 95.7 percent / m-CPBA / CHCl3 / Ambient temperature 3: 46.9 g / ethanol / 1 h / Ambient temperature 4: 1.) NaH / 1.) DMF, 30 min, 2.) DMF, RT, 2 h 5: 277 mg / DIBAL-H / toluene / 1 h / -74 °C View Scheme |
- 7152-15-0
ethyl 4-methyl-3-oxo-pentanoate
- 147118-36-3
N-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-(propan-2-yl)pyrimidin-2-yl]-N-methylmethanesulfonamide
| Conditions | Yield |
|---|---|
| Multi-step reaction with 6 steps 1: 86.7 percent / piperidine, AcOH / benzene / Heating 2: 1.) HMPA, 2.) DDQ / 1.) 100 deg C, 22 h, 2.) benzene, 30 min 3: 95.7 percent / m-CPBA / CHCl3 / Ambient temperature 4: 46.9 g / ethanol / 1 h / Ambient temperature 5: 1.) NaH / 1.) DMF, 30 min, 2.) DMF, RT, 2 h 6: 277 mg / DIBAL-H / toluene / 1 h / -74 °C View Scheme |
- 147118-32-9
5-ethoxycarbonyl-6-(4'-fluorophenyl)-4-isopropyl-2-(methylamino)pyrimidine
- 147118-36-3
N-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-(propan-2-yl)pyrimidin-2-yl]-N-methylmethanesulfonamide
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 1.) NaH / 1.) DMF, 30 min, 2.) DMF, RT, 2 h 2: 277 mg / DIBAL-H / toluene / 1 h / -74 °C View Scheme |
4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-n-methylsulfonyl)amino]pyrimidine-5-yl-methanol Chemical Properties
Molecular structure of 4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-n-methylsulfonyl)amino]pyrimidine-5-yl-methanol (CAS NO.147118-36-3) is:
Product Name: 4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-n-methylsulfonyl)amino]pyrimidine-5-yl-methanol
CAS Registry Number: 147118-36-3
Molecular Formula: C16H20FN3O3S
Molecular Weight: 353.41
Index of Refraction: 1.579
Molar Refractivity: 89.145 cm3
Molar Volume: 268.288 cm3
Surface Tension: 54.768 dyne/cm
Density: 1.317 g/cm3
Flash Point: 279.338 °C
Enthalpy of Vaporization: 85.82 kJ/mol
Boiling Point: 538.273 °C at 760 mmHg
Product Categories: INTERMEDIATESOFROSUVASTATINCALCIUM;Rosuvastatin Calcium and its intermediates
4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-n-methylsulfonyl)amino]pyrimidine-5-yl-methanol Specification
4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-n-methylsulfonyl)amino]pyrimidine-5-yl-methanol , its cas register number is 147118-36-3. It also can be called Methanesulfonamide,N-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-(1-methylethyl)-2-pyrimidinyl]-N-methyl- ; N-[4-(4-Fluorophenyl)-5-hydroxymethyl-6-isopropylpyrimidin-2-yl]-N-methylmethanesulfonamide .
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