2-Pyrrolidinone, 1-(1,2-propadienyl)-

Base Information

• Chemical Name: 2-Pyrrolidinone, 1-(1,2-propadienyl)-
• CAS No.: 17426-48-1
• Molecular Formula: C7H9NO
• Molecular Weight: 123.155
• DSSTox Substance ID: DTXSID20466780
• Nikkaji Number: J621.859H
• Mol file: 17426-48-1.mol

Synonyms:N-allenylpyrrolidone;17426-48-1;2-Pyrrolidinone, 1-(1,2-propadienyl)-;SCHEMBL14692624;DTXSID20466780

Chemical Property of 2-Pyrrolidinone, 1-(1,2-propadienyl)-

Chemical Property:

• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 123.068413911
• Heavy Atom Count: 9
• Complexity: 168

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=C=CN1CCCC1=O

Technology Process of 2-Pyrrolidinone, 1-(1,2-propadienyl)-

There total 1 articles about 2-Pyrrolidinone, 1-(1,2-propadienyl)- 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: 99.0%

2-pyrrolidinon (616-45-5) + propargyl bromide (106-96-7) → 1-prop-2-ynyl-pyrrolidin-2-one (766-61-0) + 1-(propa-1,2-dien-1-yl)pyrrolidin-2-one (17426-48-1)

Guidance literature:

With potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; potassium carbonate; In tetrahydrofuran; for 4h; Heating;

DOI:10.1016/j.tetlet.2005.07.013

Reference yield: 89.0%

1-(propa-1,2-dien-1-yl)pyrrolidin-2-one (17426-48-1) + sodium 4-fluorobenzenesulfinate (824-80-6) → (E)-1-(3-((4-fluorophenyl)sulfonyl)prop-1-en-1-yl)pyrrolidin-2-one

Guidance literature:

With trifluoroacetic acid; In water; at 25 ℃; for 4h; Schlenk technique;

DOI:10.1021/acs.joc.1c01345

Reference yield: 83.0%

1-(propa-1,2-dien-1-yl)pyrrolidin-2-one (17426-48-1) → 1-[(1R,5R)-5-(4-Chloro-phenyl)-3-methoxy-2-methylene-cyclopent-3-enyl]-pyrrolidin-2-one

Guidance literature:

With carbon monoxide; chloro(1,5-cyclooctadiene)rhodium(I) dimer; In dichloromethane; at 20 ℃; under 750.06 Torr;

DOI:10.1021/ja0586788

upstream raw materials:

2-pyrrolidinon

propargyl bromide

Downstream raw materials:

1-[3-(3,5-Dichloro-2,4,6-trimethyl-phenyl)-4-methylene-4,5-dihydro-isoxazol-5-yl]-pyrrolidin-2-one

1-[3-(3,5-Dichloro-2,4,6-trimethyl-phenyl)-isoxazol-(4E)-ylidenemethyl]-pyrrolidin-2-one

1-[(5R,6R)-3,9-Bis-(3,5-dichloro-2,4,6-trimethyl-phenyl)-1,7-dioxa-2,8-diaza-spiro[4.4]nona-2,8-dien-6-yl]-pyrrolidin-2-one

1-{(Z)-[(2S)-3-methyl-2-phenylcyclohex-3-en-1-ylidene]methyl}pyrrolidin-2-one