- 1-(Diphenylmethyl)-3-hydroxyazetidine
- 1-(Diphenylmethyl)-3-hydroxyazetidine hydrochloride
- 18621-18-63-Hydroxyazetidine hydrochloride
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Cas Database |
| Name |
1-(Diphenylmethyl)-3-hydroxyazetidine |
EINECS | 606-074-6 |
| CAS No. | 18621-17-5 | Density | 1.189 g/cm3 |
| PSA | 23.47000 | LogP | 2.39040 |
| Solubility | N/A | Melting Point |
106 °C |
| Formula | C16H17NO | Boiling Point | 353.8 °C at 760 mmHg |
| Molecular Weight | 239.317 | Flash Point | 101.7 °C |
| Transport Information | N/A | Appearance | white solid |
| Safety | 26-37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi, C
|
| Synonyms |
1-Benzhydryl-3-azetanol;1-Benzhydryl-3-hydroxyazetidine;1-Benzhydrylazetidin-3-ol;3-Hydroxy-1-(diphenylmethyl)azetidine;N-(Diphenylmethyl)-3-hydroxyazetidine;N-(Diphenylmethyl)azetidin-3-ol;3-Azetidinol,1-(diphenylmethyl)-; |
Article Data | 42 |
1-(Diphenylmethyl)-3-hydroxyazetidine Synthetic route
| Conditions | Yield |
|---|---|
| With sodium carbonate In isopropyl alcohol for 12h; Solvent; Temperature; Reagent/catalyst; Reflux; | 88.2% |
| In methanol for 72h; Inert atmosphere; | 83% |
| With hydrogenchloride In N,N-dimethyl-formamide | 74% |
- 40320-60-3
N-benzhydryl 3-azetidinone
- 18621-17-5
1-(diphenylmethyl)-3-hydroxyazetidine
| Conditions | Yield |
|---|---|
| With methanol; sodium tetrahydroborate at 0 - 20℃; | 86.2% |
| With sodium tetrahydroborate |
- 18621-17-5
1-(diphenylmethyl)-3-hydroxyazetidine
| Conditions | Yield |
|---|---|
| With Nonafluorobutanesulfonyl fluoride; TPGS-750-M In propan-1-ol; water at 50℃; for 24h; Reagent/catalyst; Solvent; Temperature; Green chemistry; | 80% |
- 63477-43-0
3-chloro-1-diphenylmethylamino-2-hydroxypropane
- 18621-17-5
1-(diphenylmethyl)-3-hydroxyazetidine
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine In ethanol at 0 - 90℃; | 75% |
| With triethylamine In acetonitrile for 49h; Reflux; | 65% |
| In ethanol for 3h; Heating / reflux; | |
| With triethylamine In methanol; acetonitrile Reflux; |
- 552-82-9
benzhydrylidene(methyl)amine
- 106-89-8
epichlorohydrin
- 18621-17-5
1-(diphenylmethyl)-3-hydroxyazetidine
| Conditions | Yield |
|---|---|
| In DMF (N,N-dimethyl-formamide) at 95℃; for 72h; | 74% |
- 18621-17-5
1-(diphenylmethyl)-3-hydroxyazetidine
- 124-63-0
methanesulfonyl chloride
- 33301-41-6
1-benzhydryl-3-azetidinyl methanesulfonate
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 0℃; for 2h; | 100% |
| With triethylamine In dichloromethane at 0℃; | 100% |
| With triethylamine In dichloromethane at 20℃; for 1h; Product distribution / selectivity; | 100% |
- 18621-17-5
1-(diphenylmethyl)-3-hydroxyazetidine
- 124-63-0
methanesulfonyl chloride
- 106859-45-4
1-(Diphenylmethyl)-3-azetidinol methanesulfonate (ester) hydrochloride
| Conditions | Yield |
|---|---|
| Stage #1: 1-(diphenylmethyl)-3-hydroxyazetidine; methanesulfonyl chloride With triethylamine In benzene at 0 - 20℃; Stage #2: With hydrogenchloride In diethyl ether at 0℃; | 100% |
- 18621-17-5
1-(diphenylmethyl)-3-hydroxyazetidine
- 90604-02-7
1-(diphenylmethyl)-3-azetidinol hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride In ethyl acetate at 20℃; for 0.166667h; | 100% |
- 18621-17-5
1-(diphenylmethyl)-3-hydroxyazetidine
- 1538-75-6
2,2-dimethylpropanoic anhydride
- 141699-55-0
tert-butyl 3-hydroxyazetidine-1-carboxylate
| Conditions | Yield |
|---|---|
| With hydrogen; 20% Pd(OH)2 on carbon In ethyl acetate under 760.051 Torr; for 24h; | 100% |
- 18621-17-5
1-(diphenylmethyl)-3-hydroxyazetidine
- 18162-48-6
tert-butyldimethylsilyl chloride
- 391910-20-6
3-((tert-butyldimethylsilyl)oxy)-1-(diphenylmethyl)azetidine
| Conditions | Yield |
|---|---|
| With 1H-imidazole In dichloromethane at 20℃; for 0.5h; | 100% |
| With 1H-imidazole In dichloromethane at 20℃; for 3h; | 99.8% |
| With 1H-imidazole In N,N-dimethyl-formamide; toluene at 0 - 20℃; for 22h; | 53% |
1-(Diphenylmethyl)-3-hydroxyazetidine Chemical Properties
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IUPAC Name: 1-Benzhydrylazetidin-3-ol
Canonical SMILES: C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)O
InChI: InChI=1S/C16H17NO/c18-15-11-17(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-
14/h1-10,15-16,18H,11-12H2
InChIKey: MMAJXKGUZYDTHV-UHFFFAOYSA-N
Molecular Weight: 239.31228 [g/mol]
Molecular Formula: C16H17NO
XLogP3-AA: 2.6
H-Bond Donor: 1
H-Bond Acceptor: 2
Product Categories: Alcohols and Derivatives; Azetidine; N-Benzhydrylazetidin; Azetidines; Amines; Heterocycles; Ring Systems
Appearance: White solid
Index of Refraction: 1.64
Molar Refractivity: 72.55 cm3
Molar Volume: 201.1 cm3
Surface Tension: 54.8 dyne/cm
Density: 1.189 g/cm3
Flash Point: 101.7 °C
Enthalpy of Vaporization: 63.18 kJ/mol
Boiling Point: 353.8 °C at 760 mmHg
Vapour Pressure: 1.29E-05 mmHg at 25 °C
Melting Point of 1-(Diphenylmethyl)-3-hydroxyazetidine (CAS NO.18621-17-5): 106 °C
1-(Diphenylmethyl)-3-hydroxyazetidine Uses
1-(Diphenylmethyl)-3-hydroxyazetidine (CAS NO.18621-17-5) is used to identify inhibitors of CYP 3A4.
1-(Diphenylmethyl)-3-hydroxyazetidine Safety Profile
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
Hazard Codes: 
Xi,
C
Hazard Note: Irritant
HazardClass of 1-(Diphenylmethyl)-3-hydroxyazetidine (CAS NO.18621-17-5): IRRITANT
1-(Diphenylmethyl)-3-hydroxyazetidine Specification
1-(Diphenylmethyl)-3-hydroxyazetidine (CAS NO.18621-17-5), its Synonyms are 1-(Diphenylmethyl)-3-azetidinol ; 1-Benzhydryl-3-azetanol ; 1-Benzhydryl-3-hydroxyazetidine ; 1-Benzhydrylazetidin-3-ol ; 3-Hydroxy-1-(diphenylmethyl)azetidine ; N-(Diphenylmethyl)-3-hydroxyazetidine ; 3-Azetidinol,1-(diphenylmethyl)- .
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