1-Benzyl-1,5-dihydro-pyrrol-2-one

Base Information

• Chemical Name: 1-Benzyl-1,5-dihydro-pyrrol-2-one
• CAS No.: 64330-46-7
• Molecular Formula: C11H11NO
• Molecular Weight: 173.214
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10494395
• Nikkaji Number: J2.465.305F
• Wikidata: Q82341717
• Mol file: 64330-46-7.mol

Synonyms:64330-46-7;1-BENZYL-1,5-DIHYDRO-PYRROL-2-ONE;1-Benzyl-1H-pyrrol-2(5H)-one;1-benzyl-2H-pyrrol-5-one;1-benzyl-2,5-dihydro-1H-pyrrol-2-one;1-benzyl-1,5-dihydro-2H-pyrrol-2-one;MFCD09997905;2H-Pyrrol-2-one, 1,5-dihydro-1-(phenylmethyl)-;SCHEMBL10641903;DTXSID10494395;VUXSCAICDRDVQG-UHFFFAOYSA-N;AC8143;AKOS006305676;SB38105;SY250035;CS-0317424;FT-0753228;A918293

Chemical Property of 1-Benzyl-1,5-dihydro-pyrrol-2-one

Chemical Property:

• Melting Point: 60-62 °C
• Boiling Point: 368.0±22.0 °C(Predicted)
• PKA: -0.94±0.20(Predicted)
• PSA: 20.31000
• Density: 1.171±0.06 g/cm3(Predicted)
• LogP: 1.52290
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 173.084063974
• Heavy Atom Count: 13
• Complexity: 216

Purity/Quality:

97% ^*data from raw suppliers

1-Benzyl-1H-pyrrol-2(5H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CC(=O)N1CC2=CC=CC=C2

Technology Process of 1-Benzyl-1,5-dihydro-pyrrol-2-one

There total 31 articles about 1-Benzyl-1,5-dihydro-pyrrol-2-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

benzyl N-allyl-N-acrylamide (127368-26-7) → 1-benzyl-1,5-dihydro-2H-pyrrole-2-one (64330-46-7)

Guidance literature:

With Hoveyda-Grubbs catalyst second generation; In toluene; at 70 ℃; for 1h; regioselective reaction; Catalytic behavior; Inert atmosphere;

DOI:10.1055/s-0032-1317352

Reference yield: 94.0%

1-benzyl-5-hydroxypyrrolidin-2-one (41194-02-9) + acrylonitrile (107-13-1,25014-41-9) → 1-benzyl-1,5-dihydro-2H-pyrrole-2-one (64330-46-7) + 1-benzyl-5-[2-cyanoethyl]pyrrolidin-2-one (1393803-38-7)

Guidance literature:

With bis(cyclopentadienyl)titanium dichloride; chloro-trimethyl-silane; magnesium; tert-butyl alcohol; In tetrahydrofuran; at 20 ℃; Reagent/catalyst; Inert atmosphere;

DOI:10.1002/anie.201210088

Reference yield: 87.0%

N-benzyl-3-(phenylselanyl)-pyrrolidin-2-one (166273-19-4) → 1-benzyl-1,5-dihydro-2H-pyrrole-2-one (64330-46-7)

Guidance literature:

With dihydrogen peroxide; In ethyl acetate; at -5 ℃; for 3.5h;

DOI:10.1080/00397910601133615

upstream raw materials:

benzyl N-allyl-N-acrylamide

(5R)-<5-(2)H1>-1-benzyl-1-phenylselenyopyrrolidin-2-one

(E)-N-allyl-N-benzylbut-2-enamide

N-benzyl-3-(phenylselanyl)-pyrrolidin-2-one

Downstream raw materials:

(R)-1-benzyl-5-(1H-indol-1-yl)pyrrolidin-2-one

(R)-1-benzyl-5-(2-methyl-1H-indol-1-yl)pyrrolidin-2-one

1-benzyl-5-(2-methyl-1H-indol-1-yl)pyrrolidin-2-one

(R)-1-benzyl-5-(3-methyl-1H-indol-1-yl)pyrrolidin-2-one