| Identification | More | [Name]
1-(Diphenylmethyl)-3-hydroxyazetidine | [CAS]
18621-17-5 | [Synonyms]
1-BENZHYDRYL-3-AZETIDINOL
1-BENZHYDRYL-3-HYDROXYAZETIDINE
1-BENZHYDRYL-3-HYDROXYAZETIDINE HCL
1-BENZHYDRYLAZETAN-3-OL
1-BENZHYDRYLAZETIDIN-3-OL
1-(DIPHENYLMETHYL)-3-HYDROXYAZETIDINE
BUTTPARK 37\04-13
N-BENZHYDRYLAZETIDIN-3-OL
1-Benzydrylazetan-3-ol
1-(diphenylmethyl)azetidin-3-ol
1-(Diphenylmethyl)-3-hydroxyazetinide
1-(Diphenylmethyl)-3-azetidiol
N-(Diphenylmethyl)azetidin-3-ol
1-BENZYLHYDRYL-AZETIDIN-3-OL
1-(Diphenylmethyl)-3-azetidinol
1-BENZHYDRYLAZETIDINE-3-OL
NSC 319045
1-(diphenylmethyl) azetodome-3-ol
1-(Diphenylmethyl)-3-hydroxyazetidine/N-(Diphenylmethyl)azetidin-3-ol | [EINECS(EC#)]
606-074-6 | [Molecular Formula]
C16H17NO | [MDL Number]
MFCD00205109 | [Molecular Weight]
239.31 | [MOL File]
18621-17-5.mol |
| Chemical Properties | Back Directory | [Appearance]
White solid | [Melting point ]
106 °C | [Boiling point ]
353.8±42.0 °C(Predicted) | [density ]
1.189±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
14.24±0.20(Predicted) | [color ]
Off-White to Pale Yellow | [Usage]
It is used to identify inhibitors of CYP 3A4. | [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 | [SMILES]
N1(C(C2=CC=CC=C2)C2=CC=CC=C2)CC(O)C1 | [CAS DataBase Reference]
18621-17-5(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,C | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
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 . | [RIDADR ]
UN3259 | [Hazard Note ]
Irritant | [HazardClass ]
8 | [HazardClass ]
IRRITANT | [HS Code ]
29339900 |
| Hazard Information | Back Directory | [Chemical Properties]
White solid | [Uses]
1-(Diphenylmethyl)-3-hydroxyazetidine is used to identify inhibitors of CYP 3A4.
| [Synthesis]
To a solution of 1-(diphenylmethylamino)-3-chloro-2-propanol (Intermediate 32, 276 g, 1 mol) in ethanol (2 L) was slowly added N,N-diisopropylethylamine (DIPEA, 129 g, 1 mol) at 0 °C. Subsequently, the reaction mixture was heated to 90 °C and refluxed overnight. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure to afford the crude product 1-diphenylmethyl-3-hydroxyazetidine (179 g, 75% yield). The product can be purified by recrystallization from a solvent mixture of acetone and petroleum ether. | [References]
[1] Patent: WO2013/14448, 2013, A1. Location in patent: Page/Page column 96
[2] Medicinal Chemistry Research, 2013, vol. 22, # 12, p. 5982 - 5989
[3] Patent: US2003/229226, 2003, A1. Location in patent: Page 21-22
[4] Synthesis (Germany), 2018, vol. 50, # 5, p. 1020 - 1026 |
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