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| CAS No.: | 125995-03-1 |
|---|---|
| Name: | Atorvastatin lactone |
| Molecular Structure: | |
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| Formula: | C33H33FN2O4 |
| Molecular Weight: | 540.634 |
| Synonyms: | 1H-Pyrrole-3-carboxamide,5-(4-fluorophenyl)-2-(1-methylethyl)-N,4-diphenyl-1-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-,(2R-trans)-;5-(4-Fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxotetrahydropyran-2-yl]ethyl]-2-isopropyl-4-phenyl-1H-pyrrole-3-carboxylicacid phenylamide;Atorvastatin d-lactone;5-(4-Fluorophenyl)-2-(1-methylethyl)-N,4-diphenyl-1-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1H-pyrrole-3-carboxamide; |
| Density: | 1.24 g/cm3 |
| Melting Point: | 103-106 °C |
| Boiling Point: | 674.8 °C at 760 mmHg |
| Flash Point: | 361.9 °C |
| Appearance: | slightly yellow solid |
| PSA: | 80.56000 |
| LogP: | 6.86650 |
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| Conditions | Yield |
|---|---|
| With sulfuric acid at 0 - 20℃; for 2.58333h; | A 96% B n/a |
- 842163-03-5
1-[2-((2R,4R)-4,6-dihydroxytetrahydro-2H-pyran-2-yl)ethyl]-5-(4-fluorophenyl)-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide
- 125995-03-1
atorvastatin lactone
| Conditions | Yield |
|---|---|
| With manganese(IV) oxide In acetone at 25℃; for 24h; | 95% |
| With Dess-Martin periodane In dichloromethane at 20℃; for 2.5h; |
- 581772-29-4
2-((4R,6R)-6-(2-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)ethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetic acid
- 125995-03-1
atorvastatin lactone
| Conditions | Yield |
|---|---|
| With camphor-10-sulfonic acid In tetrahydrofuran at 20℃; for 3h; | 90% |
- 134523-03-8
lipitor
- 125995-03-1
atorvastatin lactone
| Conditions | Yield |
|---|---|
| Stage #1: lipitor With hydrogenchloride In water; ethyl acetate at 4 - 20℃; Stage #2: In toluene for 2.5h; Reflux; Dean-Stark; | 88% |
| With hydrogenchloride In water at 20℃; for 2h; | 55% |
| Stage #1: lipitor With hydrogenchloride In dichloromethane; water Stage #2: With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; Cooling with ice; | 2.78 g |
- 125995-03-1
atorvastatin lactone
| Conditions | Yield |
|---|---|
| With hydrogenchloride In tetrahydrofuran; water at 20℃; stereoselective reaction; | 75% |
| Conditions | Yield |
|---|---|
| With sulfuric acid at 0 - 20℃; for 2.58333h; | A 74% B n/a |
| Conditions | Yield |
|---|---|
| With sulfuric acid at 0 - 20℃; for 2.58333h; | A 70% B n/a |
| Conditions | Yield |
|---|---|
| With sulfuric acid at 0 - 20℃; for 2.58333h; | A 68% B n/a |
| Conditions | Yield |
|---|---|
| With sulfuric acid at 0 - 20℃; for 2.58333h; | A 66% B n/a |
| Conditions | Yield |
|---|---|
| With sulfuric acid at 0 - 20℃; for 2.58333h; | A 66% B n/a |
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Chemistry
Molecular structure of Atorvastatin lactone (CAS NO.125995-03-1) is:
Product Name: Atorvastatin lactone
CAS Registry Number: 125995-03-1
IUPAC Name: 5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
Molecular Weight: 540.624523 [g/mol]
Molecular Formula: C33H33FN2O4
XLogP3-AA: 5.7
H-Bond Donor: 2
H-Bond Acceptor: 5
Melting Point: 103-106 °C
Molar Volume: 435.4 cm3
Surface Tension: 45.3 dyne/cm
Density: 1.24 g/cm3
Flash Point: 361.9 °C
Enthalpy of Vaporization: 104.1 kJ/mol
Boiling Point: 674.8 °C at 760 mmHg
Vapour Pressure: 3.92E-19 mmHg at 25°C
Uses
Atorvastatin lactone (CAS NO.125995-03-1) can be used for the treatment of inflammation.
Specification
Atorvastatin lactone , its cas register number is 125995-03-1. It also can be called 1H-Pyrrole-3-carboxamide, 5-(4-fluorophenyl)-2-(1-methylethyl)-N,4-diphenyl-1-(2-((2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)- ; (4R,6R)-6-{2-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]ethyl}-4-hydroxytetrahydro-2H-pyran-2-one .It is a slightly yellow solid.