2-Toluoyl choline

Base Information

• Chemical Name: 2-Toluoyl choline
• CAS No.: 28418-91-9
• Molecular Formula: C₁₃H₂₀NO₂*I
• Molecular Weight: 349.212
• Hs Code.: 2923900090
• DSSTox Substance ID: DTXSID20951080
• Mol file: 28418-91-9.mol

Synonyms:2-toluoyl choline;o-toluoyl choline;ortho-toluoyl choline

Chemical Property of 2-Toluoyl choline

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 26.30000
• Density: g/cm³
• LogP: -1.13800
• 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:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Quaternary Amines
• Canonical SMILES: CC1=CC=CC=C1C(=O)OCC[N+](C)(C)C.[I-]

Technology Process of 2-Toluoyl choline

There total 1 articles about 2-Toluoyl choline 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:

→ 2-Methylbenzoylcholin (28418-91-9)

Guidance literature:

o-Toluoylchlorid, 1. 2-Dimethylamino-aethanol, 2. Methyljodid;

DOI:10.1021/jm00297a035