3-Acetoxymethyl-N,N,N-trimethylbenzenemethanaminium iodide

Base Information

• Chemical Name: 3-Acetoxymethyl-N,N,N-trimethylbenzenemethanaminium iodide
• CAS No.: 145832-35-5
• Molecular Formula: C₁₃H₂₀NO₂*I
• Molecular Weight: 349.212
• DSSTox Substance ID: DTXSID50932701
• Mol file: 145832-35-5.mol

Synonyms:3-acetoxymethyl-N,N,N-trimethylbenzenemethanaminium;3-acetoxymethyl-N,N,N-trimethylbenzenemethanaminium iodide;3-AMTMBM

Chemical Property of 3-Acetoxymethyl-N,N,N-trimethylbenzenemethanaminium iodide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 26.30000
• Density: g/cm³
• LogP: 1.95590
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 349.05388
• Heavy Atom Count: 17
• Complexity: 233

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC1=CC=CC(=C1)C[N+](C)(C)C.[I-]

Technology Process of 3-Acetoxymethyl-N,N,N-trimethylbenzenemethanaminium iodide

There total 3 articles about 3-Acetoxymethyl-N,N,N-trimethylbenzenemethanaminium 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:

3-(N,N-Dimethylaminomethyl)benzenemethanol (69383-72-8) → 3-acetoxymethyl-N,N,N-trimethylbenzenemethanaminium iodide (145832-35-5)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃ / toluene / 4 h / Heating

2: diethyl ether / 48 h

With potassium carbonate; In diethyl ether; toluene;

Reference yield:

ethyl 3-dimethylaminomethylbenzoate → 3-acetoxymethyl-N,N,N-trimethylbenzenemethanaminium iodide (145832-35-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 80 percent / LiAlH₄ / diethyl ether / 3 h / Heating

2: K₂CO₃ / toluene / 4 h / Heating

3: diethyl ether / 48 h

With lithium aluminium tetrahydride; potassium carbonate; In diethyl ether; toluene;

Reference yield:

Acetic acid 3-dimethylaminomethyl-benzyl ester + methyl iodide (74-88-4) → 3-acetoxymethyl-N,N,N-trimethylbenzenemethanaminium iodide (145832-35-5)

Guidance literature:

In diethyl ether; for 48h; Yield given;

upstream raw materials:

methyl iodide

3-(N,N-Dimethylaminomethyl)benzenemethanol

Refernces