ChemicalBook--->CAS DataBase List--->147489-06-3

147489-06-3

147489-06-3 Structure

147489-06-3 Structure
IdentificationBack Directory
[Name]

(4R,6S)-6-[(1E)-2-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetic acid tert-butyl ester
[CAS]

147489-06-3
[Synonyms]

(3R,5S,E)-tert-butyl7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoate
t-Butyl (3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-isopropylidenedioxy-6-hepte
t-Bytyl(3R,5S)-7-[2-cyclopropyl-4-(4-fluoropenyl)quinolin-3-yl]-3,5-isopropylidenedioxy-6-heptenoate
t-Butyl-(3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-isopropylidenedioxy-6-heptenoate
(3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]-2,2-Dimethyl-1,3-dioxane-6-heptenoic acid,1,1-dimethylethyl ester
(4R,6S)-6-[(1E)-2-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetic acid tert-butyl ester
[EINECS(EC#)]

1592732-453-0
[Molecular Formula]

C32H36FNO4
[MDL Number]

MFCD12911897
[MOL File]

147489-06-3.mol
[Molecular Weight]

517.637
Chemical PropertiesBack Directory
[Melting point ]

105-116 °C(Solv: hexane (110-54-3))
[Boiling point ]

604.6±55.0 °C(Predicted)
[density ]

1.184±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

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

Solid
[pka]

4.61±0.50(Predicted)
[color ]

White to Off-White
[InChIKey]

GTJPCLUSFUIHTP-KAAYJFPCSA-N
[SMILES]

O1[C@H](/C=C/C2=C(C3=CC=C(F)C=C3)C3C(N=C2C2CC2)=CC=CC=3)C[C@H](CC(OC(C)(C)C)=O)OC1(C)C
[CAS DataBase Reference]

147489-06-3
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Uses]

t-Butyl (3R,5S)-7-[2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-isopropylidenedioxy-6-heptenoate is an impurity from the synthesis of HMG-CoA reductase inhibitor Pitavastatin [P531040, (Z)-Pitavastatin Calcium Salt].
Spectrum DetailBack Directory
[Spectrum Detail]

(4R,6S)-6-[(1E)-2-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetic acid tert-butyl ester(147489-06-3)1HNMR
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