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CAS No.: | 1193-65-3 |
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Name: | 3-Quinuclidinone hydrochloride |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C7H12ClNO |
Molecular Weight: | 161.631 |
Synonyms: | 1-Azabicyclo[2.2.2]octan-3-one,hydrochloride (9CI);3-Quinuclidinone, hydrochloride (6CI,7CI,8CI);3-Oxoquinuclidinehydrochloride; |
EINECS: | 214-776-5 |
Melting Point: | >300 ºC (dec.) |
Boiling Point: | 204.9ºCat 760 mmHg |
Flash Point: | 78.1ºC |
Appearance: | white or yelloish powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 20.31000 |
LogP: | 1.02100 |
Conditions | Yield |
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Stage #1: 3-quinuclidinol With 1-methyl-1H-imidazole; tetrakis(acetonitrile)copper(I) trifluoromethanesulfonate; 4,4'-Dimethoxy-2,2'-bipyridin; 9-azabicyclo[3.3.1]nonane N-oxyl; oxygen In acetonitrile at 70℃; for 1.5h; Stage #2: With hydrogenchloride In diethyl ether; acetonitrile for 0.5h; | 82% |
3-quinuclidinone hydrochloride
Conditions | Yield |
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Stage #1: ethyl 1-(2-methoxy-2-oxoethyl) piperidine-4-carboxylate With potassium tert-butylate In toluene at 111℃; for 3h; Dieckmann Condensation; Inert atmosphere; Stage #2: With hydrogenchloride In water for 14h; Dieckmann Condensation; Reflux; Stage #3: With potassium carbonate In water Solvent; Reagent/catalyst; Dieckmann Condensation; | 80% |
(S)-quinuclidin-3-ol
3-quinuclidinone hydrochloride
Conditions | Yield |
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Stage #1: (S)-quinuclidin-3-ol With dimethylsulfide; triethylamine In chloroform at -15 - -10℃; Inert atmosphere; Stage #2: With N-chloro-succinimide In chloroform at -15 - -10℃; for 4h; Inert atmosphere; | 79% |
2-Ethoxycarbonyl-3-oxoquinuclidine oxime hydrochloride
3-quinuclidinone hydrochloride
Conditions | Yield |
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With hydrogen; platinum(IV) oxide In hydrogenchloride |
1-ethoxycarbonylmethyl-piperidine-4-carboxylic acid methyl ester
toluene
3-quinuclidinone hydrochloride
Conditions | Yield |
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Erhitzen des Reaktionsgemisches mit wss. HCl; |
Conditions | Yield |
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Multi-step reaction with 3 steps 1.1: sulfuryl dichloride / N,N-dimethyl-formamide / 6 h / 80 °C / Inert atmosphere 2.1: sodium carbonate / toluene / 4 h / 20 - 45 °C 3.1: potassium tert-butylate / toluene / 3 h / 111 °C / Inert atmosphere 3.2: 14 h / Reflux View Scheme |
ethyl N-ethoxycarbonylmethyl-4-piperidinecarboxylate
3-quinuclidinone hydrochloride
Conditions | Yield |
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Multi-step reaction with 2 steps 1.1: potassium tert-butylate / toluene / 4.5 h / Reflux; Inert atmosphere 2.1: Reflux 2.2: 20 °C View Scheme |
2-ethoxycarbonyl-3-quinuclidinone
3-quinuclidinone hydrochloride
Conditions | Yield |
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Stage #1: 2-ethoxycarbonyl-3-quinuclidinone Reflux; Stage #2: With hydrogenchloride In ethanol at 20℃; | 25.4 g |
3-quinuclidinone hydrochloride
3-quinuclidone oxime
Conditions | Yield |
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With hydroxylamine hydrochloride; sodium acetate In water at 70℃; for 2h; Inert atmosphere; | 100% |
With hydroxylamine hydrochloride; sodium acetate In water at 70℃; for 1h; | |
With hydroxylamine hydrochloride; sodium acetate In water at 0 - 70℃; for 1h; |
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 |
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Molecular Structure:
Molecular Formula: C7H12ClNO
Molecular Weight: 161.6293
IUPAC Name: 1-Azabicyclo[2.2.2]octan-3-one hydrochloride
Synonyms of 3-Quinuclidinone hydrochloride (CAS NO.1193-65-3): EINECS 214-776-5 ; NSC 91498 ; 1-Azabicyclo(2.2.2)octan-3-one, hydrochloride ; 1-Azabicyclo(2.2.2)octan-3-one, hydrochloride (1:1) ; Quinuclidin-3-one hydrochloride
CAS NO: 1193-65-3
Product Categories: Pharmaceutical material and intermeidates ; Carbonyl Compounds ; Heterocycles ; Quinuclidine derivatives ; Ring Systems
Melting point: >300 °C
H bond acceptors: 2
Polar Surface Area: 20.31 Å2
Flash Point: 78.1 °C
Enthalpy of Vaporization: 44.12 kJ/mol
Boiling Point: 204.9 °C at 760 mmHg
Vapour Pressure: 0.257 mmHg at 25°C
3-Quinuclidinone hydrochloride (CAS NO.1193-65-3) is used for the synthesis of a variety of drugs.
Hazard Codes of 3-Quinuclidinone hydrochloride (CAS NO.1193-65-3): Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25-37/39-26
S22: Do not breathe dust.
S24/25: Avoid contact with skin and eyes.
S37/39: Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3