ChemicalBook--->CAS DataBase List--->54881-13-9

54881-13-9

54881-13-9 Structure

54881-13-9 Structure
IdentificationMore
[Name]

1-Benzylazetidin-3-ol
[CAS]

54881-13-9
[Synonyms]

N-BENZYL-3-HYDROXYAZETIDINE
1-BENZYLAZETIDINE-3-OL
1-BENZYL AZETIDINE-3-OL 98%
1-Benzyl-3-hydroxyazetidine
1-Benzylazetidin-3-ol
3-Azetidinol, 1-(phenylmethyl)-
1-Benzyl-3-azetidinol
[Molecular Formula]

C10H13NO
[MDL Number]

MFCD00963607
[Molecular Weight]

163.22
[MOL File]

54881-13-9.mol
Chemical PropertiesBack Directory
[Melting point ]

64-65 °C
[Boiling point ]

259.2±33.0 °C(Predicted)
[density ]

1.188±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

crystals
[pka]

14.33±0.20(Predicted)
[color ]

White
[Sensitive ]

Air Sensitive
[InChI]

InChI=1S/C10H13NO/c12-10-7-11(8-10)6-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2
[InChIKey]

JOXQHYFVXZZGQZ-UHFFFAOYSA-N
[SMILES]

N1(CC2=CC=CC=C2)CC(O)C1
[CAS DataBase Reference]

54881-13-9(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[HS Code ]

29339900
Hazard InformationBack Directory
[Uses]

1-Benzylazetidin-3-ol has been utilized as a starting material in commercially synthesising azetidin-3-ol hydrochloride[1].
[Synthesis]

5.0 g of l, 3.52 g of methanesulphonyl chloride and 6 ml of triethylamine in 40 ml of dichloromethane were stirred together for 18 hours. The mixture was filtered and the solvent was evaporated under reduced pressure. The residue was purified by chromatography on silica gel using isopropanol in dichloromethane as eluent to give the mesylate of 1-benzylazetidin-3-ol, yield 4.25 g.
[References]

[1] V. V. R. M. Krishna Reddy. “Development of an Optimized Process for the Preparation of 1-Benzylazetidin-3-ol: An Industrially Important Intermediate for Substituted Azetidine.” Organic Process Research & Development 15 2 (2011): 462–466.
Spectrum DetailBack Directory
[Spectrum Detail]

1-Benzylazetidin-3-ol(54881-13-9)1HNMR
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