2-Butyn-1-aminium, 4-(2-methyl-5-oxo-1-pyrrolidinyl)-N,N,N-trimethyl-, iodide

Base Information

• Chemical Name: 2-Butyn-1-aminium, 4-(2-methyl-5-oxo-1-pyrrolidinyl)-N,N,N-trimethyl-, iodide
• CAS No.: 112483-26-8
• Molecular Formula: C₁₂H₂₁N₂O*I
• Molecular Weight: 336.216
• ChEMBL ID: CHEMBL51215
• Mol file: 112483-26-8.mol

Synonyms:2-Butyn-1-aminium, 4-(2-methyl-5-oxo-1-pyrrolidinyl)-N,N,N-trimethyl-, iodide;N-(4-(Dimethylamino)-2-butynyl)-5-methyl-2-pyrrolidone methiodide;4-(2-Methyl-5-oxo-1-pyrrolidinyl)-N,N,N-trimethyl-2-butyn-1-aminium iodide;112483-26-8;C12-H21-N2-O.I;CHEMBL51215;LS-47467

Chemical Property of 2-Butyn-1-aminium, 4-(2-methyl-5-oxo-1-pyrrolidinyl)-N,N,N-trimethyl-, iodide

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 336.06986
• Heavy Atom Count: 16
• Complexity: 303

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC(=O)N1CC#CC[N+](C)(C)C.[I-]

Technology Process of 2-Butyn-1-aminium, 4-(2-methyl-5-oxo-1-pyrrolidinyl)-N,N,N-trimethyl-, iodide

There total 4 articles about 2-Butyn-1-aminium, 4-(2-methyl-5-oxo-1-pyrrolidinyl)-N,N,N-trimethyl-, iodide 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:

5-methyl-N-(2-propynyl)-2-pyrrolidone (18327-34-9) → N-<4-(dimethylamino)-2-butynyl>-5-methyl-2-pyrrolidone methiodide (112483-26-8)

Guidance literature:

Multi-step reaction with 4 steps

1: 56 percent / dioxane / 30 °C

2: 56 percent / BrCN / diethyl ether / Ambient temperature

3: 65 percent / DBU / diethyl ether / 20 h / Ambient temperature

4: acetone

With bromocyane; 1,8-diazabicyclo[5.4.0]undec-7-ene; In 1,4-dioxane; diethyl ether; acetone;

DOI:10.1021/jm00398a031

Reference yield:

N-(4-bromo-2-butynyl)-5-methyl-2-pyrrolidone (112483-25-7) → N-<4-(dimethylamino)-2-butynyl>-5-methyl-2-pyrrolidone methiodide (112483-26-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 65 percent / DBU / diethyl ether / 20 h / Ambient temperature

2: acetone

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In diethyl ether; acetone;

DOI:10.1021/jm00398a031

Reference yield:

N-<4-(diethylamino)-2-butynyl>-5-methyl-2-pyrrolidone (112483-19-9) → N-<4-(dimethylamino)-2-butynyl>-5-methyl-2-pyrrolidone methiodide (112483-26-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 56 percent / BrCN / diethyl ether / Ambient temperature

2: 65 percent / DBU / diethyl ether / 20 h / Ambient temperature

3: acetone

With bromocyane; 1,8-diazabicyclo[5.4.0]undec-7-ene; In diethyl ether; acetone;

DOI:10.1021/jm00398a031

upstream raw materials:

AKS 19

methyl iodide

5-methyl-N-(2-propynyl)-2-pyrrolidone

N-(4-bromo-2-butynyl)-5-methyl-2-pyrrolidone