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Home > Encyclopedia > 1-(Phenylmethyl)-3-pyrrolidinone

1-(Phenylmethyl)-3-pyrrolidinone

1-(Phenylmethyl)-3-pyrrolidinone structure

1-(Phenylmethyl)-3-pyrrolidinone 

structure
  • CAS No:

    775-16-6

  • Formula:

    C11H13NO

  • Chemical Name:

    1-(Phenylmethyl)-3-pyrrolidinone

  • 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

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

clear yellow liquid

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.

Drug Information

N-benzyl-3-pyrrolidinone

1-(Phenylmethyl)-3-pyrrolidinone Use and Manufacturing

Methods of 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).

Uses

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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