CAS No.287714-41-4,Rosuvastatin Suppliers

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Basic Information

Molecular Structure:
CAS No.:	287714-41-4
Name:	Rosuvastatin
Article Data:	30

Formula:	C₂₂H₂₈FN₃O₆S
Molecular Weight:	481.545
Synonyms:	(E)-(3R,5S)-7-[4-(4-Fluorophenyl)-6-isopropyl-2-[(methylsulfonyl)(methyl)amino]pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoicacid;6-heptenoic acid, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-, (6E)-;
EINECS:	689-191-5
Density:	1.368 g/cm³
Melting Point:	161.9 °C
Boiling Point:	745.6 °C at 760 mmHg
Flash Point:	404.7 °C
PSA:	149.30000
LogP:	3.48250

Synthetic route

: 289042-12-2
2-[(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(isopropyl)pyrimidin-5-yl]vinyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid tert butyl ester

: 287714-41-4
rosuvastatin

Conditions

Conditions	Yield
Stage #1: 2-[(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(isopropyl)pyrimidin-5-yl]vinyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid tert butyl ester With acetic acid In tetrahydrofuran at 5 - 35℃; Stage #2: With lithium hydroxide In tetrahydrofuran at 5 - 35℃;	93%
Stage #1: 2-[(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(isopropyl)pyrimidin-5-yl]vinyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid tert butyl ester With hydrogenchloride In water; acetonitrile at 35 - 40℃; for 4h; Inert atmosphere; Darkness; Stage #2: With sodium hydroxide In acetonitrile at 20 - 25℃; for 2h; Stage #3: With hydrogenchloride In water pH=3 - 4; Time;	74.4%
Stage #1: 2-[(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(isopropyl)pyrimidin-5-yl]vinyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid tert butyl ester With hydrogenchloride; water In methanol at 25℃; Stage #2: With water; sodium hydroxide In methanol at 30℃; for 7.5 - 8.5h; Stage #3: With hydrogenchloride In water pH=3.5 - 4;

: 1007871-85-3
tert-butyl-6-[(1E)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetate

: 287714-41-4
rosuvastatin

Conditions

Conditions	Yield
With hydrogenchloride; water In tetrahydrofuran at 80℃; for 2h; Product distribution / selectivity;	81%
With hydrogenchloride; water In tetrahydrofuran at 80℃; for 2h; Product distribution / selectivity;	81%

: 147118-40-9
(E)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl](3R,5S)-3,5-dihydroxyhept-6-enoic acid methyl ester

: 287714-41-4
rosuvastatin

Conditions

Conditions	Yield
Stage #1: (E)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl](3R,5S)-3,5-dihydroxyhept-6-enoic acid methyl ester With ethanol; sodium hydroxide at 0 - 20℃; Stage #2: With hydrogenchloride In water; ethyl acetate pH=3.5 - 4.0; Product distribution / selectivity;
Stage #1: (E)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl](3R,5S)-3,5-dihydroxyhept-6-enoic acid methyl ester With water; sodium hydroxide In ethanol at 0 - 20℃; Stage #2: With hydrogenchloride In ethanol; Isopropyl acetate; water Product distribution / selectivity;
Stage #1: (E)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl](3R,5S)-3,5-dihydroxyhept-6-enoic acid methyl ester With sodium hydroxide; water In acetonitrile at 0 - 30℃; for 1.25h; Stage #2: With hydrogenchloride; water at 0 - 5℃;

: (E)-7-(4-(4-fluorophenyl)-6-isopropyl-2-(methyl(methylsulfonyl)amino)pyrimidin-5-yl)-(3R,5S)-3,5-dihydroxyhept-6-enoic acid, calcium salt

: 287714-41-4
rosuvastatin

Conditions

Conditions	Yield
With hydrogenchloride In water; acetonitrile at 20℃; for 1h; Product distribution / selectivity;
With hydrogenchloride In water at 20℃; for 1h; Product distribution / selectivity;

: 852820-97-4
(3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(isopropyl)pyrimidine-5-yl]-3,5-dihydroxyhept-6-enoic acid isopropylamine

: 287714-41-4
rosuvastatin

Conditions

Conditions	Yield
With sodium hydroxide; water In ethanol at 20℃; for 2h;

: crestor

: 287714-41-4
rosuvastatin

Conditions

Conditions	Yield
With hydrogenchloride; sodium chloride In water; acetonitrile at 0 - 20℃; pH=2.8 - 3.4;
With monosodium salt of ethylenediaminetetraacetic acid In water
With hydrogenchloride In water; ethyl acetate at 20 - 25℃; pH=3.5 - 3.7; Product distribution / selectivity;
With hydrogenchloride; water In ethyl acetate for 0.166667h; Product distribution / selectivity;
With water; edetate disodium

: 355806-00-7
rosuvastatin tert-butyl ester

: 287714-41-4
rosuvastatin

Conditions

Conditions	Yield
With sodium hydroxide; ethanol; water at 20℃; for 2h; Product distribution / selectivity;
Stage #1: rosuvastatin tert-butyl ester With sodium hydroxide; water In tetrahydrofuran at 50 - 55℃; for 1h; Stage #2: With phosphoric acid; water Product distribution / selectivity;
Stage #1: rosuvastatin tert-butyl ester With sodium hydroxide; water In tetrahydrofuran at 30℃; for 2h; Stage #2: With hydrogenchloride; water at 20℃; Product distribution / selectivity;

: 355805-96-8
rosuvastatin methylamine salt

: 287714-41-4
rosuvastatin

Conditions

Conditions	Yield
With hydrogenchloride In water; ethyl acetate at 25 - 30℃; pH=4.0;
With hydrogenchloride; water In ethyl acetate at 25 - 30℃; pH=4.0;

: rosuvastatin sodium

: 287714-41-4
rosuvastatin

Conditions

Conditions	Yield
With hydrogenchloride; water at 20℃; Product distribution / selectivity;
With phosphoric acid; water In 2-methylpropyl acetate Product distribution / selectivity;
With hydrogenchloride In diethyl ether; water for 0.5h; pH=5; Product distribution / selectivity;

: 925705-14-2
rosuvastatin α,α-dimethylphenethyl ester

: 287714-41-4
rosuvastatin

Conditions

Conditions	Yield
With sodium hydroxide; water In tetrahydrofuran at 50℃; for 3h;

Raw Materials

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Chemistry

Molecular Structure of Rosuvastatin (CAS NO.287714-41-4):

IUPAC Name: (E,3R,5R)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid
Empirical Formula: C₂₂H₂₈FN₃O₆S
Molecular Weight: 481.5376
H bond acceptors: 9
H bond donors: 3
Freely Rotating Bonds: 12
Polar Surface Area: 116.3 Å²
Index of Refraction: 1.597
Molar Refractivity: 119.98 cm³
Molar Volume: 351.8 cm³
Surface Tension: 62.2 dyne/cm
Density: 1.368 g/cm³
Flash Point: 404.7 °C
Enthalpy of Vaporization: 114.08 kJ/mol
Boiling Point: 745.6 °C at 760 mmHg
Vapour Pressure: 2.38E-23 mmHg at 25°C
InChI
InChI=1/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17+/m0/s1
Smiles
c1(nc(N(S(=O)(=O)C)C)nc(c1\C=C\[C@@H](C[C@H](CC(O)=O)O)O)c1ccc(cc1)F)C(C)C
Classification Code: Anticholesteremic Agents; Antihyperlipidemic; Antilipemic Agents; Antimetabolites; Enzyme Inhibitors; Hydroxymethylglutaryl-CoA Reductase Inhibitors

Specification

Rosuvastatin , with CAS number of 287714-41-4, can be called (E)-(3R,5S)-7-[4-(4-Fluorophenyl)-6-isopropyl-2-[(methylsulfonyl)(methyl)amino]pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoicacid ; 6-heptenoic acid, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-, (6E)- .