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ChemicalBook--->CAS DataBase List--->39657-45-9

39657-45-9

39657-45-9 Structure

39657-45-9 Structure
IdentificationBack Directory
[Name]

ISOXAZOLIDINE HYDROCHLORIDE
[CAS]

39657-45-9
[Synonyms]

hydrochloride - [K86659]
1,2-Oxazolidine hydrochloride
Isoxazolidine, hydrochloride (1:1)
[Molecular Formula]

C3H7NO.ClH
[MDL Number]

MFCD11100465
[MOL File]

39657-45-9.mol
[Molecular Weight]

109.555
Chemical PropertiesBack Directory
[Melting point ]

125.0 to 129.0 °C
[storage temp. ]

Inert atmosphere,Room Temperature
[Water Solubility ]

Soluble in water
[form ]

powder to crystal
[color ]

White to Almost white
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
[HazardClass ]

IRRITANT
[HS Code ]

2934999090
Hazard InformationBack Directory
[Uses]

Isoxazolidine Hydrochloride is used to form isoxazolidides by high yield acylation.
[Synthesis]

1,3-Dichloropropane

142-28-9

ISOXAZOLIDINE HYDROCHLORIDE

39657-45-9

The general procedure for the synthesis of isoxazolidine hydrochloride from 1,3-dichloropropane was as follows: first, 1,3-dichloropropane (1.6 mL, 15 mmol, 1.2 eq.) and DBU (1,8-diazabicyclo[5.4.0]undec-7-ene; 1.8 mL, 12 mmol, 1.0 eq.) were sequentially added to a stirring solution of 2-hydroxyisoindoline-1,3 -dione (N-hydroxyphthalimide; 2.0 g, 12 mmol, 1.0 eq.) in a solution of DMF (30 mL) at a reaction temperature of 23 °C. The reaction mixture was heated to 50 °C and stirred continuously for 18 hours. Upon completion of the reaction, the resulting colorless solution was diluted with 1 M aqueous HCl (300 mL) and extracted with ether (Et2O; 2 x 100 mL). The organic layers were combined, dried with anhydrous magnesium sulfate (MgSO4), gravity filtered and concentrated by rotary evaporation to give a colorless oil (1.5 g). The oil was dissolved in ethanol (EtOH; 15 mL), hydrazine hydrate (300 μL, 11 mmol, 1.0 eq.) was added, and the light yellow suspension was stirred at 23 °C for 4 h. The reaction mixture was filtered under vacuum. The reaction mixture was filtered under vacuum and the filtrate was concentrated by rotary evaporation to give a light yellow powdery product (530 mg, 77% yield). The structure of the product was confirmed by 1H NMR (300 MHz, DMSO-d6): δ 5.34 (broad single peak, 2H), 4.07 (triple peak, J = 7 Hz, 2H), 3.37 (triple peak, J = 7 Hz, 2H), 2.30 (quintuple peak, J = 7 Hz, 2H).

[References]

[1] Patent: US2010/222221, 2010, A1. Location in patent: Page/Page column 7
Spectrum DetailBack Directory
[Spectrum Detail]

ISOXAZOLIDINE HYDROCHLORIDE(39657-45-9)1HNMR
ISOXAZOLIDINE HYDROCHLORIDE(39657-45-9)1HNMR
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