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Cas Database |
| Name |
3-Quinuclidinone hydrochloride |
EINECS | 214-776-5 |
| CAS No. | 1193-65-3 | Density | N/A |
| PSA | 20.31000 | LogP | 1.02100 |
| Solubility | N/A | Melting Point |
>300 ºC (dec.) |
| Formula | C7H12ClNO | Boiling Point | 204.9ºCat 760 mmHg |
| Molecular Weight | 161.631 | Flash Point | 78.1ºC |
| Transport Information | N/A | Appearance | white or yelloish powder |
| Safety | 26-37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
1-Azabicyclo[2.2.2]octan-3-one,hydrochloride (9CI);3-Quinuclidinone, hydrochloride (6CI,7CI,8CI);3-Oxoquinuclidinehydrochloride; |
Article Data | 7 |
3-Quinuclidinone hydrochloride Synthetic route
| Conditions | Yield |
|---|---|
| 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% |
- 1193-65-3
3-quinuclidinone hydrochloride
| Conditions | Yield |
|---|---|
| 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% |
- 3684-26-2, 25333-42-0, 34583-34-1, 1619-34-7
(S)-quinuclidin-3-ol
- 1193-65-3
3-quinuclidinone hydrochloride
| Conditions | Yield |
|---|---|
| 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% |
- 110056-51-4
2-Ethoxycarbonyl-3-oxoquinuclidine oxime hydrochloride
- 1193-65-3
3-quinuclidinone hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogen; platinum(IV) oxide In hydrogenchloride |
- 95566-71-5
1-ethoxycarbonylmethyl-piperidine-4-carboxylic acid methyl ester
- 108-88-3
toluene
- 1193-65-3
3-quinuclidinone hydrochloride
| Conditions | Yield |
|---|---|
| Erhitzen des Reaktionsgemisches mit wss. HCl; |
| Conditions | Yield |
|---|---|
| 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 |
- 1838-39-7
ethyl N-ethoxycarbonylmethyl-4-piperidinecarboxylate
- 1193-65-3
3-quinuclidinone hydrochloride
| Conditions | Yield |
|---|---|
| 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 |
- 34286-16-3
2-ethoxycarbonyl-3-quinuclidinone
- 1193-65-3
3-quinuclidinone hydrochloride
| Conditions | Yield |
|---|---|
| Stage #1: 2-ethoxycarbonyl-3-quinuclidinone Reflux; Stage #2: With hydrogenchloride In ethanol at 20℃; | 25.4 g |
- 1193-65-3
3-quinuclidinone hydrochloride
- 35423-17-7
3-quinuclidone oxime
| Conditions | Yield |
|---|---|
| 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 |
|---|---|
| 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 |
3-Quinuclidinone hydrochloride Chemical Properties
Molecular Structure:
.png)
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 Uses
3-Quinuclidinone hydrochloride (CAS NO.1193-65-3) is used for the synthesis of a variety of drugs.
3-Quinuclidinone hydrochloride Safety Profile
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
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