(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
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(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
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CAS No:
147489-06-3
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Formula:
C32H36FNO4
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Chemical 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
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Synonyms:
(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;tert-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-fluoro?phenyl)3-quinoline-base]-2,2-dimethyl-1,3-dioxane-6-heptene?acid?tert-butyl?ester;tert-butyl 2-((4R,6S);pitavastatin intermediate 3R5S isomer;2-[6-[2-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid tert-butyl ester;3-dioxane-6-heptene?acid?tert-butyl?ester;6E)-7-[2-cyclopropyl-4-(4-fluoro?phenyl)3-quinoline-base]-2
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CAS No:
(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 Basic Attributes
517.63
517.262817
1592732-453-0
White to Off-White
2934999090
Characteristics
57.6
6.4
white or almost white power
1.184±0.06 g/cm3(Predicted)
105-116 °C(Solv: hexane (110-54-3))
604.6±55.0 °C(Predicted)
319.4±31.5 °C
1.604
0mmHg at 25°C
4.61±0.50(Predicted)
under inert gas (nitrogen or Argon) at 2-8°C
(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 Use and Manufacturing
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].
Computed Properties
Molecular Weight:517.6
XLogP3:6.4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:517.26283679
Monoisotopic Mass:517.26283679
Topological Polar Surface Area:57.6
Heavy Atom Count:38
Complexity:841
Defined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(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
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