(4-Acetoxybut-2-ynyl)trimethylammonium iodide

Base Information

• Chemical Name: (4-Acetoxybut-2-ynyl)trimethylammonium iodide
• CAS No.: 3921-95-7
• Molecular Formula: C9H16INO2
• Molecular Weight: 297.1333
• DSSTox Substance ID: DTXSID40959987
• Mol file: 3921-95-7.mol

Synonyms:(4-Acetoxybut-2-ynyl)trimethylammonium iodide;2-Butyn-1-aminium, 4-(acetyloxy)-N,N,N-trimethyl-, iodide;AMMONIUM, (4-HYDROXY-2-BUTYNYL)TRIMETHYL-, IODIDE, ACETATE;3921-95-7;C9H16NO2.I;DTXSID40959987;LS-18195;4-(Acetyloxy)-N,N,N-trimethylbut-2-yn-1-aminium iodide

Chemical Property of (4-Acetoxybut-2-ynyl)trimethylammonium iodide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 297.02258
• Heavy Atom Count: 13
• Complexity: 214

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of (4-Acetoxybut-2-ynyl)trimethylammonium iodide

There total 2 articles about (4-Acetoxybut-2-ynyl)trimethylammonium 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: 95.1%

4-(dimethylamino)but-2-yn-1-yl acetate (3921-94-6) + methyl iodide (74-88-4) → N,N-Dimethylaminobutine-2-yl-acetic iodomethylate (3921-95-7)

Guidance literature:

In acetone; for 3h; Heating;

DOI:10.1007/BF00758764

Reference yield:

Propargyl acetate (627-09-8) → N,N-Dimethylaminobutine-2-yl-acetic iodomethylate (3921-95-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 76 percent / copper acetate / dioxane / 8 h / 100 - 104 °C

2: 95.1 percent / acetone / 3 h / Heating

copper (I) acetate; In 1,4-dioxane; acetone;

DOI:10.1007/BF00758764

upstream raw materials:

4-(dimethylamino)but-2-yn-1-yl acetate

methyl iodide

Propargyl acetate