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18621-17-5

18621-17-5 Structure

18621-17-5 Structure
IdentificationMore
[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 PropertiesBack 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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Corrosion (GHS05)
GHS07,GHS05
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H314-H318
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
[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
[REACH Registrations]

Inactive
[HazardClass ]

8
[HazardClass ]

IRRITANT
[HS Code ]

29339900
Hazard InformationBack Directory
[Chemical Properties]

White solid
[Uses]

1-(Diphenylmethyl)-3-hydroxyazetidine is used to identify inhibitors of CYP 3A4.
[Synthesis]

1-(benzhydrylaMino)-3-chloropropan-2-ol

63477-43-0

1-benzhydrylazetidin-3-Ol

18621-17-5

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
Spectrum DetailBack Directory
[Spectrum Detail]

1-(Diphenylmethyl)-3-hydroxyazetidine(18621-17-5)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-benzhydrylazetan-3-ol(18621-17-5)
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