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125995-03-1

Basic Information
CAS No.: 125995-03-1
Name: Atorvastatin lactone
Article Data: 21
Molecular Structure:
Molecular Structure of 125995-03-1 (Atorvastatin lactone)
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
Synthetic route
71-41-0

pentan-1-ol

A

pentyl (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate

B

125995-03-1

atorvastatin lactone

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With camphor-10-sulfonic acid In tetrahydrofuran at 20℃; for 3h;90%
125995-03-1

atorvastatin lactone

Conditions
ConditionsYield
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

(3R,5R)-methyl 3,5-bis((tert-butyldimethylsilyl)oxy)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)heptanoate

125995-03-1

atorvastatin lactone

Conditions
ConditionsYield
With hydrogenchloride In tetrahydrofuran; water at 20℃; stereoselective reaction;75%
78-83-1

2-methyl-propan-1-ol

A

isobutyl (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate

B

125995-03-1

atorvastatin lactone

Conditions
ConditionsYield
With sulfuric acid at 0 - 20℃; for 2.58333h;A 74%
B n/a
71-23-8

propan-1-ol

A

propyl (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate

B

125995-03-1

atorvastatin lactone

Conditions
ConditionsYield
With sulfuric acid at 0 - 20℃; for 2.58333h;A 70%
B n/a
111-70-6

n-heptan1ol

A

heptyl (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate

B

125995-03-1

atorvastatin lactone

Conditions
ConditionsYield
With sulfuric acid at 0 - 20℃; for 2.58333h;A 68%
B n/a
111-27-3

hexan-1-ol

A

hexyl (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate

B

125995-03-1

atorvastatin lactone

Conditions
ConditionsYield
With sulfuric acid at 0 - 20℃; for 2.58333h;A 66%
B n/a
143-08-8

nonyl alcohol

A

nonyl (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate

B

125995-03-1

atorvastatin lactone

Conditions
ConditionsYield
With sulfuric acid at 0 - 20℃; for 2.58333h;A 66%
B n/a
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    125995-03-1

    Atorvastatin Lactone

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  • Atorvastatin lactone

  • Casno:

    125995-03-1

    Atorvastatin lactone

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    factory?direct?saleAppearance:White powder Storage:Sealed and preserved Package:200/Kilograms Application:healing drugs Transportation:By sea Port:Shanghai/tianjin

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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.