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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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    Xi'an Eastling biotech Co., Ltd. is dedicated to the research and development, production, and sales of natural plant extracts; With nearly 15 years of experience in identifying, r

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  • Atorvastatin lactone

  • Casno:

    125995-03-1

    Atorvastatin lactone

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Ansciep Chemical is a professional enterprise manufacturing and distributing fine chemicals and speciality chemicals. We have been dedicated to heterocycle compounds and phenyl rings for tens of years. This is our mature product for export. Our quali

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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.