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897019-59-9

897019-59-9 Structure

897019-59-9 Structure
IdentificationBack Directory
[Name]

3-(BENZYLOXY)AZETIDINE BENZENESULFONATE
[CAS]

897019-59-9
[Synonyms]

3-phenylmethoxyazetidine
3-(Benzyloxy)azetidine, HCl
3-(PhenylMethoxy)-azetidine HCl
3-(BENZYLOXY)AZETIDINE BENZENESULFONATE
3-(Phenylmethoxy)-azetidinehydrochloride
3-(Benzyloxy)azetidine benzenesulfonic acid salt
[Molecular Formula]

C10H14ClNO
[MDL Number]

MFCD09907646
[MOL File]

897019-59-9.mol
[Molecular Weight]

199.68
Chemical PropertiesBack Directory
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C10H13NO.ClH/c1-2-4-9(5-3-1)8-12-10-6-11-7-10;/h1-5,10-11H,6-8H2;1H
[InChIKey]

BQTSSUSLZRYTQB-UHFFFAOYSA-N
[SMILES]

O(C1CNC1)CC1C=CC=CC=1.Cl
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H319-H315-H335
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
[HS Code ]

2933998090
Spectrum DetailBack Directory
[Spectrum Detail]

3-(BENZYLOXY)AZETIDINE BENZENESULFONATE(897019-59-9)1HNMR
Hazard InformationBack Directory
[Synthesis]

3-Benzyloxy-azetidine-1-carboxylicacidtert-butylester

1027995-71-6

3-(BENZYLOXY)AZETIDINE BENZENESULFONATE

897019-59-9

General procedure for the synthesis of 3-(benzyloxy)azetidine-1-carboxylic acid tert-butyl ester from 3-(benzyloxy)azetidine-1-carboxylic acid: tert-butyl ester of 3-(benzyloxy)azetidine-1-carboxylic acid (1.0 g) was placed in a round-bottomed flask, methanol-HCl solution (15 ml, 20%) was added, and the reaction was stirred for 1 h at room temperature. The reaction progress was monitored by thin layer chromatography (TLC). After completion of the reaction, the solvent was evaporated under reduced pressure to give the crude product as a white solid. The crude product was washed several times with ethyl acetate and dried thoroughly to afford the target compound 3-(benzyloxy)azetidine hydrochloride as a white solid in 92% yield, which can be used for subsequent reactions without further purification.

[References]

[1] Patent: WO2012/83246, 2012, A1. Location in patent: Page/Page column 46
[2] Patent: US9388164, 2016, B2. Location in patent: Page/Page column 74; 75
[3] Organic Letters, 2017, vol. 19, # 9, p. 2270 - 2273
[4] Patent: WO2017/202704, 2017, A1. Location in patent: Page/Page column 44; 45
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