2-Pyrrolidinone,5-ethynyl-1-methyl-(9CI)

Base Information

• Chemical Name: 2-Pyrrolidinone,5-ethynyl-1-methyl-(9CI)
• CAS No.: 118800-15-0
• Molecular Formula: C₇H₉NO
• Molecular Weight: 123.155
• Mol file: 118800-15-0.mol

Synonyms:2-Pyrrolidinone,5-ethynyl-1-methyl-(9CI)

Chemical Property of 2-Pyrrolidinone,5-ethynyl-1-methyl-(9CI)

Chemical Property:

• Melting Point: 35-36 °C(Solv: hexane (110-54-3); ethyl ether (60-29-7))
• Boiling Point: 44-46 °C(Press: 0.04 Torr)
• PKA: -2.29±0.40(Predicted)
• PSA: 20.31000
• Density: 1.07±0.1 g/cm3(Predicted)
• LogP: 0.17830

Purity/Quality:

99%min ^*data from raw suppliers

5-ethynyl-1-methyl-2-Pyrrolidinone 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-Pyrrolidinone,5-ethynyl-1-methyl-(9CI)

There total 3 articles about 2-Pyrrolidinone,5-ethynyl-1-methyl-(9CI) 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:

methyl 4-(benzylideneamino)-6-(trimethylsilyl)-5-hexynoate (57735-00-9) → 5-ethynyl-1-methyl-2-pyrrolidone (118800-15-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 1M aq. HCl / diethyl ether / 0.17 h / Ambient temperature

2: Et₃N / tetrahydrofuran / Heating

With hydrogenchloride; triethylamine; In tetrahydrofuran; diethyl ether;

DOI:10.1021/jm00124a022

Reference yield:

methyl 4-amino-6-(trimethylsilyl)-5-hexynoate hydrochloride (111886-97-6) → 5-ethynyl-1-methyl-2-pyrrolidone (118800-15-0)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / tetrahydrofuran / Heating

With triethylamine; In tetrahydrofuran;

DOI:10.1021/jm00124a022

Reference yield:

5-<(trimethylsilyl)ethynyl>-2-pyrrolidone (111886-98-7) + methyl iodide (74-88-4) → 5-ethynyl-1-methyl-2-pyrrolidone (118800-15-0)

Guidance literature:

Yield given. Multistep reaction;

DOI:10.1021/jm00124a022

upstream raw materials:

5-<(trimethylsilyl)ethynyl>-2-pyrrolidone

methyl iodide

methyl 4-(benzylideneamino)-6-(trimethylsilyl)-5-hexynoate

methyl 4-amino-6-(trimethylsilyl)-5-hexynoate hydrochloride

Refernces