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ChemicalBook--->CAS DataBase List--->125971-95-1

125971-95-1

125971-95-1 Structure

125971-95-1 Structure
IdentificationMore
[Name]

tert-Butyl (4R,6R)-2-[[[6-(2-4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
[CAS]

125971-95-1
[Synonyms]

(4r,6r)-6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1h-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetic acid 1,1-dimethylethyl ester
(4R-CIS)-1,1-DIMETHYLETHYL-6-[2-[2-(4-FLUOROPHENYL)-5-(1-ISOPROPYL)-3-PHENYL-4-[(PHENYLAMINO)CARBONYL]-1H-PYRROL-1-YL]ETHYL]-2,2-DIMETHYL-1,3-DIOXANE-4-ACETATE
(4R-CIS)-[1,1-DIMETHYLETHYL-6-[(2-FLUOROPHENYL)-5-(1-METHYLETHYL)-3-PHENYL-4-[(PHENYLAMINO) CARBONYL]-1H-PYRROL-1-YL]ETHYL]-2, 2-DIMETHYL-1, 3-DIOXANE-4-ACETATE
(4R-CIS)-6-[2-[2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-3-PHENYL-4-[(PHENYLAMINO)CARBONYL]-1H-PYRROL-1-YL]ETHYL]-2,2-DIMETHYL-1,3-DIOXANE-4-ACETIC ACID, 1,1-DIMETHYLETHYL ESTER
tert-butyl (4r,6r)-2-[[[6-(2-4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
Atorvastatin intermediate L1
(4r-Cis)-1,1-Dimethylethyl-6-[2-[2-(4-Fluorophenyl)-5-(1-Isopropyl)-3-Phenyl-4-[(Phenylamino)Carbonyl]-1h-Pyrrol-1-Yl]Ethyl]-2,2-Dimethyl-1,3-Dioxane-4-Acetate
(4R-Cis)-1,1-dimethylethyl-6-[2-[2-(4-fluoropheny)-5-(1-isopropyl)-3-phenyl-4-[(phenylamino) carbonyl]-1H-pyrrol-1-yl]ethy]-2,2-dimethyl-1, 3-dioxane-4-acetate
(4R, 6R)-1,3-DIOXANE-4-ACETIC ACID, 6-(&
(4R-CIS)-6-[2-[2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-3-PHENYL-4-[(PHENYLAMINO)CARBONYL]-1H-PYRROL-1-YL]ETHYL]-2,2-DIMETHYL-1,3-DIOXANE-4-ACETIC ACID, 1,1-DIMETHYLETHYL ESTER
Tert-Butyl (4R,6R)-2-[[[6-(2-4-Fluorophenyl)-5-Isopropyl-3-Phenyl-4-(Phenylcarbamoyl)Pyrrol-1Yl]Ethyl]-2,2-
Di-Methyl-1,3-Dioxan-4-Yl]Acetate
(4R-Cis)-1,1-dimethylethyl-6-[2-2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-
(4R,6R)-6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-Dioxane-4-acetic acid 1,1-dimethylethyl ester
tert-Butyl (4R,6R)-2-[[[6-(2-4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
Atorvastatin Acetonide tert-Butyl Ester
[EINECS(EC#)]

258-925-2
[Molecular Formula]

C40H47FN2O5
[MDL Number]

MFCD08458280
[Molecular Weight]

654.81
[MOL File]

125971-95-1.mol
Chemical PropertiesBack Directory
[Appearance]

White Solid
[Melting point ]

144-148 °C(lit.)
[alpha ]

6.5 º (c=1, chloroform)
[Boiling point ]

678.0±55.0 °C(Predicted)
[density ]

1.14±0.1 g/cm3(Predicted)
[storage temp. ]

Refrigerator
[solubility ]

Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

13.57±0.70(Predicted)
[color ]

White
[Optical Rotation]

[α]20/D +6.5°, c = 1 in chloroform
[Usage]

Atorvastatin intermediate
[InChIKey]

NPPZOMYSGNZDKY-ROJLCIKYSA-N
[SMILES]

O1[C@H](CCN2C(C(C)C)=C(C(NC3=CC=CC=C3)=O)C(C3=CC=CC=C3)=C2C2=CC=C(F)C=C2)C[C@H](CC(OC(C)(C)C)=O)OC1(C)C
[CAS DataBase Reference]

125971-95-1(CAS DataBase Reference)
Safety DataBack Directory
[Safety Statements ]

24/25
[RIDADR ]

UN 2811 6.1 / PGII
[WGK Germany ]

3
[HS Code ]

29349990
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

Atorvastatin intermediate
Spectrum DetailBack Directory
[Spectrum Detail]

Atorvastatin Acetonide tert-Butyl Ester(125971-95-1)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

125971-95-1(sigmaaldrich)
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