1-(Prop-2-yn-1-yl)pyrrolidin-2-one

Base Information

• Chemical Name: 1-(Prop-2-yn-1-yl)pyrrolidin-2-one
• CAS No.: 766-61-0
• Molecular Formula: C7H9NO
• Molecular Weight: 123.155
• Hs Code.: 2933790090
• European Community (EC) Number: 836-707-3
• DSSTox Substance ID: DTXSID80499296
• Mol file: 766-61-0.mol

Synonyms:1-(prop-2-yn-1-yl)pyrrolidin-2-one;766-61-0;1-prop-2-ynylpyrrolidin-2-one;1-PROP-2-YNYL-PYRROLIDIN-2-ONE;n-propargylpyrrolidinone;N-propargyl-2-pyrrolidone;N-propargyl-2-pyrrolidinone;1-propargyl pyrrolidin-2-one;SCHEMBL1244165;DTXSID80499296;QRGALCLKIGCPJI-UHFFFAOYSA-N;1-prop-2-yn-1-ylpyrrolidin-2-one;1-(2-Propyn-1-yl)-2-pyrrolidinone;AKOS005216956;EN300-71836;Z804945966

Chemical Property of 1-(Prop-2-yn-1-yl)pyrrolidin-2-one

Chemical Property:

• PSA: 20.31000
• LogP: 0.17990
• Storage Temp.: 2-8°C
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 123.068413911
• Heavy Atom Count: 9
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

1-Prop-2-ynyl-pyrrolidin-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCN1CCCC1=O

Technology Process of 1-(Prop-2-yn-1-yl)pyrrolidin-2-one

There total 5 articles about 1-(Prop-2-yn-1-yl)pyrrolidin-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: 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%

2-pyrrolidinon (616-45-5) + propargyl bromide (106-96-7) → 1-prop-2-ynyl-pyrrolidin-2-one (766-61-0)

Guidance literature:

With potassium hydroxide; tetrabutylammomium bromide; In tetrahydrofuran; for 6h; Ambient temperature;

DOI:10.1021/jm00164a018

Reference yield: 58.0%

→ 1-prop-2-ynyl-pyrrolidin-2-one (766-61-0)

Guidance literature:

upstream raw materials:

2-pyrrolidinon

propargyl bromide

cyclobutanone

Propargylamine

Downstream raw materials:

1-[4-(3-Phenyl-pyrrolidin-1-yl)-but-2-ynyl]-pyrrolidin-2-one

benzhydryl 6α-<3'-(2''-oxopyrrolidyl)propynyl>-6β-hydroxypenicillinate

<4-(2-oxopyrrolidinyl)-2-butynyl>thiolanium perchlorate

<4-(2-oxopyrrolidinyl)-2-butynyl>dimethylsulfonium perchlorate