ChemicalBook--->CAS DataBase List--->128117-22-6

128117-22-6

128117-22-6 Structure

128117-22-6 Structure
IdentificationBack Directory
[Name]

BENZYL 3-HYDROXYAZETIDINE-1-CARBOXYLATE
[CAS]

128117-22-6
[Synonyms]

N-Cbz-3-hydroxyazetidine
1-Cbz-3-hydroxyazetidine
1-N-CBZ-3-HYDROXYAZETIDINE
1-Benzyloxycarbonyl-3-hydroxyazetidine
BENZYL 3-HYDROXYAZETIDINE-1-CARBOXYLATE
Phenylmethyl 3-hydroxyazetidine-1-carboxylate
3-Hydroxy-azetidine-1-carboxylic acid benzyl ester
3-Hydroxy-azetidine-1-carboxylic acid benzyl ester 96%
1-Azetidinecarboxylic acid 3-hydroxy-, phenylMethyl ester
[EINECS(EC#)]

828-243-5
[Molecular Formula]

C11H13NO3
[MDL Number]

MFCD09037849
[MOL File]

128117-22-6.mol
[Molecular Weight]

207.23
Chemical PropertiesBack Directory
[Boiling point ]

356.7±42.0 °C(Predicted)
[density ]

1.317
[Fp ]

169.5℃
[storage temp. ]

Sealed in dry,2-8°C
[form ]

solid
[pka]

14.14±0.20(Predicted)
[color ]

White
[InChI]

InChI=1S/C11H13NO3/c13-10-6-12(7-10)11(14)15-8-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2
[InChIKey]

XJWSNDGCJMGHSR-UHFFFAOYSA-N
[SMILES]

N1(C(OCC2=CC=CC=C2)=O)CC(O)C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P280-P302+P352-P362+P364
[HS Code ]

29339900
Spectrum DetailBack Directory
[Spectrum Detail]

BENZYL 3-HYDROXYAZETIDINE-1-CARBOXYLATE(128117-22-6)1HNMR
Hazard InformationBack Directory
[Synthesis]

3-Hydroxyazetidine hydrochloride

18621-18-6

Benzyl chloroformate

501-53-1

BENZYL 3-HYDROXYAZETIDINE-1-CARBOXYLATE

128117-22-6

General procedure for the synthesis of 1-Benzyloxycarbonyl-3-hydroxyazetidine from 3-hydroxyazetidine hydrochloride and benzyl chloroformate: K2CO3 (63.1 g, 0.46 mol) was added to a mixed solution of water (150 mL) and THF (300 mL) containing azetidin-3-ol hydrochloride (25 g, 0.23 mol). The reaction mixture was stirred at 20-25 °C for 30 min. Subsequently, benzyl chloroformate (40.9 g, 0.24 mol) was added slowly and dropwise over 30 min. The reaction mixture was first stirred at 0-5°C and then continued to stir overnight at 20-25°C. Upon completion of the reaction, THF was removed under reduced pressure using a rotary evaporator at 30 °C. The remaining mixture was extracted with ethyl acetate (2 × 150 mL). The organic layers were combined, washed with water (1 × 50 mL), dried with Na2SO4 and concentrated. The residue was purified by silica gel fast column chromatography using ethyl acetate-heptane (1:1 and 4:1) sequentially as eluent to afford the target product, 1-benzyloxycarbonyl-3-hydroxyazetidine (47.3 g, 100%), as a clear oil. The product was characterized by 1H NMR (300 MHz, CDCl3), 13C NMR (75 MHz, CDCl3), IR and ES-HRMS, and the data were consistent with the expected structure.

[References]

[1] Organic Process Research and Development, 2009, vol. 13, # 1, p. 54 - 59
[2] Patent: WO2010/36329, 2010, A2. Location in patent: Page/Page column 16-17; 21
[3] Chemical Communications, 2012, vol. 48, # 45, p. 5578 - 5580
[4] Patent: WO2016/128529, 2016, A1. Location in patent: Paragraph 0800; 0801; 0802
[5] Patent: WO2014/32, 2014, A1. Location in patent: Page/Page column 33
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