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| CAS No.: | 18621-18-6 |
|---|---|
| Name: | 3-Hydroxyazetidine hydrochloride |
| Molecular Structure: | |
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|
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| Formula: | C3H7NO.HCl |
| Molecular Weight: | 109.556 |
| Synonyms: | azetidin-3-ol-hydrochloride;3-hydroxy-Azetidine hydrochloride;1-azoniacyclobutan-3-ol;3-(Hydroxy)azetidine Hydrochloride;azetidin-3-ol;3-Hydroxyazetidine HCl;Azetidin-3-ol hydrochloride (1:1);Azetidin-3-olhydrochlorid(1:1);3-azetidinol, hydrochloride (1:1); |
| EINECS: | 628-004-3 |
| Melting Point: | 90-92 °C |
| Boiling Point: | 170.7 °C at 760 mmHg |
| Flash Point: | 120.4 °C |
| Solubility: | Soluble in water, DMSO, methanol. |
| Appearance: | white crystal |
| Hazard Symbols: |
 C, Xi, Xn
|
| Risk Codes: | 36/37/38-41-37/38-22 |
| Safety: | 26-36/37/39 |
| PSA: | 32.26000 |
| LogP: | 0.08130 |
1-(diphenylmethyl)-3-azetidinol hydrochloride
azetion-3-ol hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogen; palladium on activated charcoal In ethanol; water at 20℃; under 2625.21 Torr; for 4h; | 100% |
| With palladium hydroxide on carbon; hydrogen In ethanol at 20℃; under 3040.2 Torr; for 12h; Inert atmosphere; | 94% |
| With hydrogen; palladium hydroxide on carbon In ethanol at 20℃; under 3040.2 Torr; for 12h; | 94% |
1-acetyl-3-acetoxyazetidine
azetion-3-ol hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water for 4h; Heating; | 100% |
azetion-3-ol hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride In chloroform at 0 - 5℃; for 7h; Solvent; | 95% |
azetion-3-ol hydrochloride
| Conditions | Yield |
|---|---|
| In methanol at 65℃; for 1h; | 92.6% |
1-benzylazetidine-3-ol hydrochloride
azetion-3-ol hydrochloride
| Conditions | Yield |
|---|---|
| With palladium on activated charcoal; hydrogen In ethanol; water at 20℃; under 2585.81 Torr; for 24h; Large scale reaction; | 90% |
hydrogenchloride
1-(diphenylmethyl)-3-hydroxyazetidine
azetion-3-ol hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogen; 10% palladium on activated carbon In 1,4-dioxane; methanol at 60℃; under 2068.65 Torr; for 6h; | 68% |
azetion-3-ol hydrochloride
| Conditions | Yield |
|---|---|
| With potassium carbonate In isopropyl alcohol Solvent; Large scale; | 66% |
1-azabicyclo<1.1.0>butane
azetion-3-ol hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride; formic acid 1.) THF, r.t., 18 h; 2.) MeOH, H2O, r.t., 20 h; Yield given; Multistep reaction; | |
| Stage #1: 1-azabicyclo<1.1.0>butane With acetic anhydride In tetrahydrofuran at 20℃; for 10h; Stage #2: With hydrogenchloride for 3h; Heating; |
tert-butyl 2-hydroxyazetidine-1-carboxylate
azetion-3-ol hydrochloride
| Conditions | Yield |
|---|---|
| Stage #1: tert-butyl 2-hydroxyazetidine-1-carboxylate With trifluoroacetic acid In dichloromethane at 20℃; Stage #2: With sodium hydroxide In water pH=11; Stage #3: With hydrogenchloride In 1,4-dioxane |
1-benzyl-3-hydroxyazetidine
azetion-3-ol hydrochloride
| Conditions | Yield |
|---|---|
| Stage #1: N-benzyl-3-hydroxyazetidine With hydrogen; acetic acid; 5% palladium hydroxide on carbon In water at 55 - 65℃; under 2068.65 Torr; for 2 - 8h; Stage #2: With hydrogenchloride at 5 - 40℃; for 1.5h; |
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The molecular structure of 3-Hydroxyazetidine Hydrochloride (CAS NO.18621-18-6):
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IUPAC Name: azetidin-3-ol hydrochloride
Empirical Formula: C3H8ClNO
Molecular Weight: 109.5547
H bond acceptors: 2
H bond donors: 2
Freely Rotating Bonds: 1
Polar Surface Area: 12.47Å2
Flash Point: 120.4 °C
Enthalpy of Vaporization: 47.4 kJ/mol
Boiling Point: 170.7 °C at 760 mmHg
Vapour Pressure: 0.464 mmHg at 25°C
Melting point: 90-92°C
Sensitive: Hygroscopic
Chemical Properties: white crystal
SMILES: Cl.OC1CNC1
InChI: InChI=1/C3H7NO.ClH/c5-3-1-4-2-3;/h3-5H,1-2H2;1H
Product Categories: Alcohols and Derivatives; Heterocycles; pharmacetical; Azetidine; Amino Acids 13C, 2H, 15N; Azetidines; Amino Acids & Derivatives; Heterocyclic Building Blocks; N-Containing; Others; B-Amino
Hazard Codes: 
C,
Xi,
Xn
Risk Statements: 36/37/38-41-37/38-22
R36/37/38:Irritating to eyes, respiratory system and skin.
R41:Risk of serious damage to the eyes.
R37/38:Irritating to respiratory system and skin.
R22:Harmful if swallowed.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
Hazard Note: Harmful/Corrosive
HazardClass: irritant
3-Hydroxyazetidine Hydrochloride , its cas register number is 18621-18-6. It also can be called azetidin-3-ol-hydrochloride ; azetidin-3-ol hydrochloride ; 3-hydroxy-Azetidine hydrochloride ; 1-azoniacyclobutan-3-ol ; 3-(Hydroxy)azetidine Hydrochloride ; azetidin-3-ol ; 3-Hydroxyazetidine HCl ; Azetidin-3-ol hydrochloride (1:1) ; Azetidin-3-olhydrochlorid(1:1) ; 3-azetidinol, hydrochloride (1:1) . 3-Hydroxyazetidine Hydrochloride is a useful intermediate in the synthesis of polypeptides.
