2-Pyrrolidinone, 4-amino-1-(phenylmethyl)-, hydrochloride (1:1)
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2-Pyrrolidinone, 4-amino-1-(phenylmethyl)-, hydrochloride (1:1)
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CAS No:
478832-05-2
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Formula:
C11H14N2O.ClH
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Chemical Name:
2-Pyrrolidinone, 4-amino-1-(phenylmethyl)-, hydrochloride (1:1)
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Synonyms:
2-Pyrrolidinone,4-amino-1-(phenylmethyl)-,hydrochloride (1:1);2-Pyrrolidinone,4-amino-1-(phenylmethyl)-,monohydrochloride;4-Amino-1-benzyl-2-pyrrolidinone hydrochloride
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CAS No:
2-Pyrrolidinone, 4-amino-1-(phenylmethyl)-, hydrochloride (1:1) Basic Attributes
226.7026
226.08700
DTXSID40594938
2933790090
Safety Information
43
36/37
Xi
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
2-Pyrrolidinone, 4-amino-1-(phenylmethyl)-, hydrochloride (1:1) Use and Manufacturing
In tetrahydrofuran (6 ml) was dissolved tert-butyl 1-benzyl-5-oxo-3-pyrrolidinylcarbamate (480 mg, 1.65 mmol), followed by adding thereto 4N-hydrogen chloride/dioxane (6.0 ml, 24 mmol), and the resulting mixture was stirred overnight at room temperature. After completion of the reaction, diethyl ether (35 ml) was added to the reaction solution, and the resulting mixture was stirred at room temperature for 30 minutes and the precipitate was collected by filtration. The precipitate was washed with diethyl ether and dried to obtain 4-amino-1-benzyl-2-pyrrolidinone hydrochloride (380 mg, 99percent).1H-NMR (DMSO-d6) δ; 2.23 (1H, dd, J=4.0, 17.2Hz), 2.76 (1H, dd, J=8.6, 17.2Hz), 3.22 (1H, dd, J=4.0, 10.8Hz), 3.53 (1H, dd, J=7.7, 10.8Hz), 3.89 (1H, bs), 4.30 (1H, d, J=15.0Hz), 4.45 (1H, d, J=15.0Hz), 7.30 (5H, m), 8.32 (2H, bs).In tetrahydrofuran (6 ml) was dissolved tert-butyl 1-benzyl-5-oxo-3-pyrrolidinylcarbamate (480 mg, 1.65 mmol), followed by adding thereto 4N-hydrogen chloride/dioxane (6.0 ml, 24 mmol), and the resulting mixture was stirred overnight at room temperature. After completion of the reaction, diethyl ether (35 ml) was added to the reaction solution, and the resulting mixture was stirred at room temperature for 30 minutes and the precipitate was collected by filtration. The precipitate was washed with diethyl ether and dried to obtain 4-amino-1-benzyl-2-pyrrolidinone hydrochloride (380 mg, 99percent).1H-NMR (DMSO-d6) δ; 2.23 (1H, dd, J=4.0, 17.2Hz), 2.76 (1H, dd, J=8.6, 17.2Hz), 3.22 (1H, dd, J=4.0, 10.8Hz), 3.53 (1H, dd, J=7.7, 10.8Hz), 3.89 (1H, bs), 4.30 (1H, d, J=15.0Hz), 4.45 (1H, d, J=15.0Hz), 7.30 (5H, m), 8.32 (2H, bs).
Computed Properties
Molecular Weight:226.70
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:226.0872908
Monoisotopic Mass:226.0872908
Topological Polar Surface Area:46.3
Heavy Atom Count:15
Complexity:211
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
2-Pyrrolidinone, 4-amino-1-(phenylmethyl)-, hydrochloride (1:1)
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