ChemicalBook--->CAS DataBase List--->63468-63-3

63468-63-3

63468-63-3 Structure

63468-63-3 Structure
IdentificationBack Directory
[Name]

2,5-Dihydro-1H-pyrrole hydrochloride
[CAS]

63468-63-3
[Synonyms]

3-Pyrroline hydrochloride
2,5-Dihydro-1H-pyrrole, HCl
3-PyrrolineHydrochloride>
2,5-DIHYDRO-1H-PYRROLE HYDROCHLORIDE
1H-Pyrrole, 2,5-dihydro-, hydrochloride
[Molecular Formula]

C4H8ClN
[MDL Number]

MFCD09991892
[MOL File]

63468-63-3.mol
[Molecular Weight]

105.57
Chemical PropertiesBack Directory
[Melting point ]

169.5-171.5 °C
[storage temp. ]

Inert atmosphere,2-8°C
[form ]

powder to crystal
[color ]

White to Light yellow to Light orange
[CAS DataBase Reference]

63468-63-3
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[Hazard Codes ]

Xn
[Risk Statements ]

22
[HS Code ]

2933.99.9701
Hazard InformationBack Directory
[Uses]

2,5-Dihydro-1H-pyrrole, HCl
[Synthesis]

Pyrrole

109-97-7

2,5-Dihydro-1H-pyrrole hydrochloride

63468-63-3

Zinc powder (200 g, 3.1 mol) was added to a solution of concentrated hydrochloric acid (500 mL) at -10 °C. After stirring for 45 minutes, 1H-pyrrole (50 g, 0.75 mol) was slowly added at -10°C through a dropping funnel. The reaction mixture was continued to be stirred at -10 °C for 30 min. Subsequently, concentrated hydrochloric acid (300 mL) was added and stirring was continued at -10 °C for 3 hours. Upon completion of the reaction, the solid product was collected by filtration and washed with distilled water (100 mL). The filtrate was adjusted to pH 14 with 2 M sodium hydroxide solution, followed by steam distillation until the distillate was no longer alkaline to litmus paper. The distillate was acidified with concentrated hydrochloric acid to pH 2. Finally, the solvent was removed by vacuum evaporation to afford the pure product 2,5-dihydro-1H-pyrrole hydrochloride (53 g, yield: 77%) as a red solid. The product was characterized by 1H NMR (400 MHz, MeOH-d4): δ 5.95 (s, 2H), 4.07 (s, 4H).

[References]

[1] Patent: WO2010/114971, 2010, A1. Location in patent: Page/Page column 148
[2] Journal of Medicinal Chemistry, 2010, vol. 53, # 19, p. 7107 - 7118
Spectrum DetailBack Directory
[Spectrum Detail]

2,5-Dihydro-1H-pyrrole hydrochloride(63468-63-3)1HNMR
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