1-(Phenylmethyl)-3-pyrrolidinone
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1-(Phenylmethyl)-3-pyrrolidinone
structure -
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CAS No:
775-16-6
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Formula:
C11H13NO
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Chemical Name:
1-(Phenylmethyl)-3-pyrrolidinone
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Synonyms:
3-Pyrrolidinone,1-(phenylmethyl)-;3-Pyrrolidinone,1-benzyl-;1-(Phenylmethyl)-3-pyrrolidinone;1-Benzyl-3-pyrrolidinone;1-Benzyl-3-pyrrolidone;N-Benzyl-3-pyrrolidinone
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CAS No:
1-(Phenylmethyl)-3-pyrrolidinone Basic Attributes
175.23
175.23
212-274-0
U4F247KXW3
DTXSID60228203
2933990090
Characteristics
20.3
1.3
White to off-white Crystalline Powder, Crystals or Chunks
1.1±0.1 g/cm3
109 °C @ Press: 1.1 Torr
>230 °F
1.578
2-8°C
Safety Information
IRRITANT, KEEP COLD
NONH for all modes of transport
3
36/37/38-20/21/22
26-37/39-24/25-36
Xi,Xn
Stable under normal temperatures and pressures. Air sensitive
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 48 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-(Phenylmethyl)-3-pyrrolidinone Use and Manufacturing
12.50 g of oxalyl chloride was added dropwise to 70 mL of dichloromethane, Stir, Cooled to -65 ° C or less, A solution of 5.0 g of DMSO in DCM was added dropwise, The temperature is maintained at -65 ° C, Add after mixing half an hour; A solution of 8.80 g of 1-benzyl-3-hydroxypyrrolidine in DCM was added dropwise, Keep -65 , Drop finished, TCL tracking supervisorTest, reaction 2h, After the reaction is complete, At -65 , Dropping Et3N, Temperature control at -65 , plus complete, stirring half an hour; then the temperature rose to 0 , Drop water, The solution becomes a clear solution from the suspension, Layered, The organic layer was washed with brine, Dried and dried to give 8.00 g of the 1-benzyl-3-carbonylpyrrolidine (yield 90.90percent, HPLC purity 95percent).
1-Benzyl-3-pyrrolidinone is a substrate used to prepare chiral, alkenyl sulfoximines leading to highly functionalized diazabicycles.
Computed Properties
Molecular Weight:175.23
XLogP3:1.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:175.099714038
Monoisotopic Mass:175.099714038
Topological Polar Surface Area:20.3
Heavy Atom Count:13
Complexity:185
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1-(Phenylmethyl)-3-pyrrolidinone
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