N,N-Dihexyl-m-toluidine

Base Information

• Chemical Name: N,N-Dihexyl-m-toluidine
• CAS No.: 74228-24-3
• Molecular Formula: C₁₉H₃₃N
• Molecular Weight: 275.478
• European Community (EC) Number: 277-781-1
• DSSTox Substance ID: DTXSID60995701
• Nikkaji Number: J318.935J
• Wikidata: Q82987270
• Mol file: 74228-24-3.mol

Synonyms:N,N-dihexyl-3-methylaniline;N,N-Dihexyl-m-toluidine;74228-24-3;EINECS 277-781-1;Benzenamine, N,N-dihexyl-3-methyl-;N,N-Dihexyl-3-methylbenzenamine;DTXSID60995701;ADAL1085525

Chemical Property of N,N-Dihexyl-m-toluidine

Chemical Property:

• Vapor Pressure: 6.7E-06mmHg at 25°C
• Refractive Index: 1.505
• Boiling Point: 377.5 °C at 760 mmHg
• Flash Point: 153.1 °C
• PSA: 3.24000
• Density: 0.892 g/cm³
• LogP: 5.96200
• XLogP3: 7.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 11
• Exact Mass: 275.261300057
• Heavy Atom Count: 20
• Complexity: 202

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCN(CCCCCC)C1=CC=CC(=C1)C

Technology Process of N,N-Dihexyl-m-toluidine

There total 3 articles about N,N-Dihexyl-m-toluidine 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: 97.7%

1-bromo-hexane (111-25-1) + 1-amino-3-methylbenzene (108-44-1) → N,N-dihexyl-3-methylaniline (74228-24-3)

Guidance literature:

With magnesium oxide; In water; at 145 ℃; for 16h; Autoclave;

Reference yield: 94.0%

4-methylbenzenesulfonic acid n-hexylester (3839-35-8) + 1-amino-3-methylbenzene (108-44-1) → N,N-dihexyl-3-methylaniline (74228-24-3)

Guidance literature:

With tetrabutylammomium bromide; sodium hydroxide; at 100 ℃; for 8h;

Reference yield:

hexan-1-ol (111-27-3) → N,N-dihexyl-3-methylaniline (74228-24-3)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 6 h / Cooling with ice

2: tetrabutylammomium bromide; sodium hydroxide / 8 h / 100 °C

With pyridine; tetrabutylammomium bromide; sodium hydroxide;

upstream raw materials:

1-bromo-hexane

1-amino-3-methylbenzene

hexan-1-ol

4-methylbenzenesulfonic acid n-hexylester

Refernces

• 1、 -. "Method for preparing N,N-Dimethylaniline compound through alkylation of alkyl tosylate". . . Retrieved 2019/07/11.