2,4-Dichloro-6-methylaniline

Base Information

• Chemical Name: 2,4-Dichloro-6-methylaniline
• CAS No.: 30273-00-8
• Molecular Formula: C7H7Cl2N
• Molecular Weight: 176.045
• Hs Code.: 29214300
• European Community (EC) Number: 625-812-8
• DSSTox Substance ID: DTXSID30361499
• Nikkaji Number: J88.652A
• Wikidata: Q69757871
• Mol file: 30273-00-8.mol

Synonyms:2,4-Dichloro-6-methylaniline;30273-00-8;Benzenamine, 2,4-dichloro-6-methyl-;SCHEMBL203098;DTXSID30361499;MFCD00044074;2,4-bis(chloranyl)-6-methyl-aniline;2,4-Dichloro-6-methylaniline, 97%;AKOS005255268;PS-11840;CS-0063149;FT-0610024;EN300-117513;A820287;J-017850

Chemical Property of 2,4-Dichloro-6-methylaniline

Chemical Property:

• Vapor Pressure: 0.0101mmHg at 25°C
• Melting Point: 42-46 °C(lit.)
• Refractive Index: 1.599
• Boiling Point: 263.8 °C at 760 mmHg
• PKA: 1.87±0.10(Predicted)
• Flash Point: 113.4 °C
• PSA: 26.02000
• Density: 1.334 g/cm³
• LogP: 3.46520
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 174.9955546
• Heavy Atom Count: 10
• Complexity: 118

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,4-Dichloro-6-methylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1N)Cl)Cl
• Uses: 2,4-Dichloro-6-methylaniline, can be used as an aniline moiety containing compound, for the synthesis of more complex pharmaceutical compounds , such as 4-Chloro-dasatinib (C364915).

Technology Process of 2,4-Dichloro-6-methylaniline

There total 8 articles about 2,4-Dichloro-6-methylaniline 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: 89.2%

o-toluidine (95-53-4) → 2-methyl-4,6-dichloroaniline (30273-00-8)

Guidance literature:

With sulfuryl dichloride; In acetonitrile; at 30 - 60 ℃;

Reference yield: 80.0%

2,4-dichloro-6-methylacetanilide (61655-97-8) → 2-methyl-4,6-dichloroaniline (30273-00-8)

Guidance literature:

With hydrogenchloride; In ethanol; for 18h; Heating;

DOI:10.1021/jm00101a024

Reference yield:

N-(2-methylphenyl)acetamide (120-66-1) → 2-methyl-4,6-dichloroaniline (30273-00-8)

Guidance literature:

Multi-step reaction with 2 steps

1: Cl₂ / acetic acid; CHCl₃

2: 80 percent / conc. aq. HCl / aq. ethanol / 18 h / Heating

With hydrogenchloride; chlorine; In ethanol; chloroform; acetic acid;

DOI:10.1021/jm00101a024

upstream raw materials:

N-(2-methylphenyl)acetamide

2,4-dichloro-6-methylacetanilide

2,4-dichloro-6-methylnitrobenzene

4-chloro-2-methylacetanilide

Downstream raw materials:

chloro-acetic acid-(2,4-dichloro-6-methyl-anilide)

C₁₂H₁₅Cl₃N₂O

3,5-dichlorotoluene

2-amino-3-methyl-5-chlorobenzoyl-N-methylamine

Refernces

• 1、 -. "2-amino-5-chloro-N,3-dimethylbenzamide preparation method". Paragraph 0043; 0044; 0050; 0051; 0056; 0057. . Retrieved 2020/03/09.