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Name	Atorvastatin lactone	EINECS	N/A
CAS No.	125995-03-1	Density	1.24 g/cm³
PSA	80.56000	LogP	6.86650
Solubility	N/A	Melting Point	103-106 °C
Formula	C₃₃H₃₃FN₂O₄	Boiling Point	674.8 °C at 760 mmHg
Molecular Weight	540.634	Flash Point	361.9 °C
Transport Information	N/A	Appearance	slightly yellow solid
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
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;	Article Data	21

Atorvastatin lactone Synthetic route

: 71-41-0
pentan-1-ol

: 134523-03-8
lipitor

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

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

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

Conditions	Yield
With camphor-10-sulfonic acid In tetrahydrofuran at 20℃; for 3h;	90%

: 134523-03-8
lipitor

: 125995-03-1
atorvastatin lactone

Conditions

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

: (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

Conditions	Yield
With hydrogenchloride In tetrahydrofuran; water at 20℃; stereoselective reaction;	75%

: 78-83-1
2-methyl-propan-1-ol

: 134523-03-8
lipitor

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

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

: 71-23-8
propan-1-ol

: 134523-03-8
lipitor

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

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

: 111-70-6
n-heptan1ol

: 134523-03-8
lipitor

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

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

: 134523-03-8
lipitor

: 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

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

: 134523-03-8
lipitor

: 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

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

Atorvastatin lactone Chemical Properties

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

Atorvastatin lactone Uses

Atorvastatin lactone (CAS NO.125995-03-1) can be used for the treatment of inflammation.

Atorvastatin lactone 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.

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