Toluin

Base Information

• Chemical Name: Toluin
• CAS No.: 50563-41-2
• Molecular Formula: C₁₂H₁₆ClNO₂
• Molecular Weight: 241.718
• DSSTox Substance ID: DTXSID10198588
• Nikkaji Number: J1.619.413A
• Wikidata: Q83071390
• Mol file: 50563-41-2.mol

Synonyms:2-chloro-N-(2-methoxyethyl)-N-(2-methylphenyl)acetamide;toluin

Chemical Property of Toluin

Chemical Property:

• Vapor Pressure: 5.28E-05mmHg at 25°C
• Boiling Point: 347.7°C at 760 mmHg
• Flash Point: 164.1°C
• PSA: 29.54000
• Density: 1.161g/cm³
• LogP: 2.21320
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 241.0869564
• Heavy Atom Count: 16
• Complexity: 223

Purity/Quality:

TOLUIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1N(CCOC)C(=O)CCl

Technology Process of Toluin

There total 2 articles about Toluin 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:

N-β-methoxyethyl-o-toluidine (32382-67-5) + chloroacetyl chloride (79-04-9) → N-chloroacetyl-N-(2-methoxyethyl)-2-methylaniline (50563-41-2)

Guidance literature:

DOI:10.1007/BF00962684

Reference yield:

→ N-chloroacetyl-N-(2-methoxyethyl)-2-methylaniline (50563-41-2)

Guidance literature:

upstream raw materials:

N-β-methoxyethyl-o-toluidine

chloroacetyl chloride