3-Chloro-2,6-dimethylaniline hydrochloride

Base Information

• Chemical Name: 3-Chloro-2,6-dimethylaniline hydrochloride
• CAS No.: 72725-98-5
• Molecular Formula: C8H10 Cl N . Cl H
• Molecular Weight: 0
• Hs Code.: 2921430090
• DSSTox Substance ID: DTXSID40498740
• Mol file: 72725-98-5.mol

Synonyms:72725-98-5;3-CHLORO-2,6-DIMETHYLANILINE HYDROCHLORIDE;3-Chloro-2,6-dimethylaniline HCl;3-chloro-2,6-dimethylaniline;hydrochloride;3-CHLORO-2,6-DIMETHYLANILINEHYDROCHLORIDE;DTXSID40498740;MFCD02683075;AKOS024318898;BS-23085;CS-0182131;3-Chloro-2,6-dimethylaniline--hydrogen chloride (1/1)

Chemical Property of 3-Chloro-2,6-dimethylaniline hydrochloride

Chemical Property:

• Vapor Pressure: 0.00128mmHg at 25°C
• Melting Point: 240°C
• Boiling Point: 293.7°C at 760 mmHg
• Flash Point: 131.4°C
• PSA: 26.02000
• LogP: 3.92220
• Sensitive.: Hygroscopic
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 191.0268547
• Heavy Atom Count: 11
• Complexity: 116

Purity/Quality:

98%Min ^*data from raw suppliers

3-Chloro-2,6-dimethylanilinehydrochloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C=C1)Cl)C)N.Cl

Technology Process of 3-Chloro-2,6-dimethylaniline hydrochloride

There total 2 articles about 3-Chloro-2,6-dimethylaniline hydrochloride 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: 74.0%

α-(p-Nitrophenyl)-N-(2,6-dimethylphenyl)nitrone (72725-83-8) → 2,6-Dimethyl-3-chloroaniline Hydrochloride (72725-98-5)

Guidance literature:

With thionyl chloride; In benzene; for 5h;

DOI:10.1021/jo01295a005

Reference yield:

N-(2,6-dimethylphenyl)hydroxylamine (3096-63-7) → 2,6-Dimethyl-3-chloroaniline Hydrochloride (72725-98-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 73 percent / ethanol / 40 - 50 °C

2: 74 percent / SOCl₂ / benzene / 5 h

With thionyl chloride; In ethanol; benzene;

DOI:10.1021/jo01295a005

Reference yield: 54.0%

DL-thiomalic acid (70-49-5,644-87-1) + 2,6-Dimethyl-3-chloroaniline Hydrochloride (72725-98-5) → 1-(3-chloro-2,6-dimethylphenyl)-3-mercaptopyrrolidine-2,5-dione

Guidance literature:

In neat (no solvent); at 160 ℃; for 3.5h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.0c00584

upstream raw materials:

α-(p-Nitrophenyl)-N-(2,6-dimethylphenyl)nitrone

N-(2,6-dimethylphenyl)hydroxylamine

Downstream raw materials:

N-(p-Nitrobenzoyl)-3-chloro-2,6-dimethylaniline

Refernces