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CAS No.: | 3731-38-2 |
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Name: | 3-QUINUCLIDINONE |
Article Data: | 43 |
Molecular Structure: | |
Formula: | C7H11 N O |
Molecular Weight: | 125.17 |
Synonyms: | 3-Quinuclidinone(6CI,7CI,8CI);3-Oxoquinuclidine;3-Quinuclidone;NSC 168448; |
EINECS: | 223-087-9 |
Density: | 1.12g/cm3 |
Melting Point: | 200 °C |
Boiling Point: | 204.9°Cat760mmHg |
Flash Point: | 78.1°C |
PSA: | 20.31000 |
LogP: | 0.21900 |
Conditions | Yield |
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With sodium carbonate; sodium hydroxide In water at 0℃; for 0.5h; | 100% |
With sodium hydrogencarbonate In water at 20℃; for 0.166667h; | 88% |
With ammonia In methanol |
Conditions | Yield |
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With potassium tert-butylate; C29H30ClNOP2Ru(1+) In acetone at 60℃; for 10h; Product distribution / selectivity; Inert atmosphere; | 95% |
With (NH4)4[CuMo6O18(OH)6]·5H2O; oxygen; sodium sulfite In water; acetonitrile at 60℃; under 760.051 Torr; for 15h; | 95% |
With dmap; [2,2]bipyridinyl; 2-azatricyclo[3.3.1.13,7]dec-2-yloxidanyl; copper(l) chloride In acetonitrile at 20℃; for 2h; chemoselective reaction; | 94% |
(S)-quinuclidin-3-ol
3-Quinuclidinone
Conditions | Yield |
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With di-isopropyl azodicarboxylate; 9-azanoradamantane N-oxyl; acetic acid In dichloromethane at 20℃; for 8h; | 87% |
With 1-methyl-2-azaadamantane-N-oxyl; [bis(acetoxy)iodo]benzene In dichloromethane at 20℃; for 30h; | 46% |
3-<(N-benzyl)acetamido>quinuclidine
A
3-Quinuclidinone
Conditions | Yield |
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With palladium diacetate In acetic acid; acetonitrile for 80h; Heating; | A 5 % Chromat. B 20 % Chromat. C 37% |
(S)-3-quinuclidinol
3-Quinuclidinone
Conditions | Yield |
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With octahydro-2,5-epiminopentalen-7-yloxidanyl; acetic acid; sodium nitrite at 20℃; for 4h; air; | 34% |
Conditions | Yield |
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With potassium; toluene anschliessend mit konz. Salzsaeure; | |
With potassium ethoxide; toluene anschliessend mit konz. Salzsaeure; |
Conditions | Yield |
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With pyridine; acetic acid; zinc; Fe3O(OAc)6Pyr35 Yield given. Yields of byproduct given; |
A
3-Quinuclidinone
B
(R)-quinuclidin-3-yl butyrate
Conditions | Yield |
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Stage #1: quinuclidin-3-yl butyrate butyric acid salt With calcium hydroxide; Aspergillus melleus protease In water at 25℃; for 24h; Stage #2: With Raney Co In o-xylene at 142℃; for 10h; |
Conditions | Yield |
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Multi-step reaction with 2 steps 1: K2CO3 2: potassium; toluene / anschliessend mit konz. Salzsaeure View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: Raney nickel; dioxane / 175 - 180 °C / 91938.4 Torr / Hydrogenation 2: K2CO3 3: potassium; toluene / anschliessend mit konz. Salzsaeure View Scheme |