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147118-36-3
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Basic Information
CAS No.: 147118-36-3
Name: 4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-n-methylsulfonyl)amino]pyrimidine-5-yl-methanol
Molecular Structure:
Molecular Structure of 147118-36-3 (4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-n-methylsulfonyl)amino]pyrimidine-5-yl-methanol)
Formula: C16H20FN3O3S
Molecular Weight: 353.418
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-;
EINECS: 604-563-9
Density: 1.317 g/cm3
Boiling Point: 538.273 °C at 760 mmHg
Flash Point: 279.338 °C
Appearance: White or off-white powder
PSA: 91.77000
LogP: 3.37500
Related products
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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%

methyl 4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methanesulfonyl)amino]pyrimidin-5-carboxylate

147118-36-3

N-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-(propan-2-yl)pyrimidin-2-yl]-N-methylmethanesulfonamide

Conditions
ConditionsYield
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
ConditionsYield
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

PhCH2CH2MgHal

PhCH2CH2MgHal

147118-36-3

N-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-(propan-2-yl)pyrimidin-2-yl]-N-methylmethanesulfonamide

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
Raw Materials
147118-30-7
114433-94-2
799842-07-2
147118-37-4
289042-11-1
459-57-4
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503610-43-3
289042-10-0
147118-38-5
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147118-40-9
147118-39-6
147118-37-4
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  • 4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-n-methylsulfonyl)amino]pyrimidine-5-yl-methanol

  • Casno:

    147118-36-3

    4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-n-methylsulfonyl)amino]pyrimidine-5-yl-methanol

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 0.0-0.0

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  • 4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-n-methylsulfonyl)amino]pyrimidine-5-yl-methanol

  • Casno:

    147118-36-3

    4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-n-methylsulfonyl)amino]pyrimidine-5-yl-methanol

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 0.0-0.0

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Chemistry

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

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 .