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CAS No.: | 147489-06-3 |
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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 |
Article Data: | 21 |
Molecular Structure: | |
Formula: | C32H36FNO4 |
Molecular Weight: | 517.641 |
Synonyms: | 1,3-Dioxane-4-aceticacid,6-[2-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]ethenyl]-2,2-dimethyl-,1,1-dimethylethyl ester, [4R-[4a,6a(E)]]-;(3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]-2,2-Dimethyl-1,3-dioxane-6-heptenoic acid,1,1-dimethylethyl ester; |
EINECS: | 1592732-453-0 |
Density: | 1.184 g/cm3 |
Melting Point: | 105-116 °C(Solv: hexane (110-54-3)) |
Boiling Point: | 604.559 °C at 760 mmHg |
Flash Point: | 319.426 °C |
Appearance: | white or almost white power |
PSA: | 57.65000 |
LogP: | 7.57350 |
2-cyclopropyl-4-(4-fluorophenyl)-3-formylquinoline
(4R,6S)-(E)-{6-[2-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-vinyl]-2,2-dimethyl-1,3-dioxan-4-yl}acetic acid tert-butyl ester
Conditions | Yield |
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With sodium t-butanolate In tetrahydrofuran at -10 - 25℃; for 4h; | 89.6% |
2-cyclopropyl-4-(4-fluorophenyl)-3-formylquinoline
(4R,6S)-(E)-{6-[2-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-vinyl]-2,2-dimethyl-1,3-dioxan-4-yl}acetic acid tert-butyl ester
Conditions | Yield |
---|---|
With sodium hydride In tetrahydrofuran; mineral oil at 0 - 25℃; for 4h; | 89.3% |
tert-butyl 2-[(4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate
diethyl <2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl>methylphosphonate
(4R,6S)-(E)-{6-[2-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-vinyl]-2,2-dimethyl-1,3-dioxan-4-yl}acetic acid tert-butyl ester
Conditions | Yield |
---|---|
With lithium chloride In tetrahydrofuran at 0 - 35℃; for 5.66667h; Reagent/catalyst; Inert atmosphere; | 89% |
With n-butyllithium In tetrahydrofuran at -80 - -10℃; for 1h; Solvent; Temperature; Inert atmosphere; | 71% |
2-cyclopropyl-4-(4-fluorophenyl)-3-formylquinoline
(4R,6S)-(E)-{6-[2-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-vinyl]-2,2-dimethyl-1,3-dioxan-4-yl}acetic acid tert-butyl ester
Conditions | Yield |
---|---|
With sodium hydride In tetrahydrofuran; mineral oil at 0 - 25℃; for 4h; Temperature; | 88.3% |
2-({[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]methyl}sulfonyl)benzo[d]thiazole
tert-butyl 2-[(4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate
(4R,6S)-(E)-{6-[2-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-vinyl]-2,2-dimethyl-1,3-dioxan-4-yl}acetic acid tert-butyl ester
Conditions | Yield |
---|---|
With potassium tert-butylate In tetrahydrofuran at -30 - 20℃; Product distribution / selectivity; | 86% |
2-cyclopropyl-4-(4-fluorophenyl)-3-formylquinoline
(4R,6S)-(E)-{6-[2-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-vinyl]-2,2-dimethyl-1,3-dioxan-4-yl}acetic acid tert-butyl ester
Conditions | Yield |
---|---|
With sodium hydride In tetrahydrofuran; mineral oil at 0 - 25℃; for 4h; | 82.5% |
tert-butyl 2-[(4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate
(4R,6S)-(E)-{6-[2-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-vinyl]-2,2-dimethyl-1,3-dioxan-4-yl}acetic acid tert-butyl ester
Conditions | Yield |
---|---|
With potassium carbonate In dimethyl sulfoxide at 30 - 50℃; for 3h; Large scale; | 80.2% |
2-cyclopropyl-4-(4-fluorophenyl)-3-iodoquinoline
t-butyl (3R,5S,6E)-3,5-isopropylidenedioxy-7-chlorodimethylsilyl-6-heptenoate
(4R,6S)-(E)-{6-[2-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-vinyl]-2,2-dimethyl-1,3-dioxan-4-yl}acetic acid tert-butyl ester
Conditions | Yield |
---|---|
With bis(η3-allyl-μ-chloropalladium(II)); tetrabutyl ammonium fluoride In tetrahydrofuran at 60℃; for 0.5h; | 80% |
2-cyclopropyl-4-(4-fluorophenyl)-3-formylquinoline
(4R,6S)-(E)-{6-[2-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-vinyl]-2,2-dimethyl-1,3-dioxan-4-yl}acetic acid tert-butyl ester
Conditions | Yield |
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With sodium carbonate In N,N-dimethyl-formamide at 80 - 85℃; for 1h; Temperature; Reagent/catalyst; Solvent; Inert atmosphere; | 79.2% |
tert-butyl 2-[(4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate
(4R,6S)-(E)-{6-[2-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-vinyl]-2,2-dimethyl-1,3-dioxan-4-yl}acetic acid tert-butyl ester
Conditions | Yield |
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Stage #1: tert-butyl 2-[(4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate; <2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl>methyltriphenylphosphonium bromide In dimethyl sulfoxide at 35℃; Large scale; Stage #2: With potassium carbonate In dimethyl sulfoxide at 70℃; for 4h; Solvent; Time; Temperature; Large scale; | 72.3% |
With potassium carbonate In dimethyl sulfoxide at 70℃; for 3h; Inert atmosphere; | 55.8% |
With potassium carbonate In dimethyl sulfoxide at 70℃; for 3h; Wittig Reaction; |
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Molecular structure of (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 NO.147489-06-3) is:
Product 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 Registry Number: 147489-06-3
Molecular Formula: C32H36FNO4
Molecular Weight: 517.64
(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 , its cas register number is 147489-06-3. It also can be called 1,3-Dioxane-4-aceticacid,6-[(1E)-2-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]ethenyl]-2,2-dimethyl-,1,1-dimethylethyl ester, (4R,6S)- ; (3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]-2,2-Dimethyl-1,3-dioxane-6-heptenoic acid,1,1-dimethylethyl ester .