2,5-Dichloro-3,6-bis[(4-methylphenyl)amino]cyclohexa-2,5-diene-1,4-dione

Base Information

• Chemical Name: 2,5-Dichloro-3,6-bis[(4-methylphenyl)amino]cyclohexa-2,5-diene-1,4-dione
• CAS No.: 17123-20-5
• Molecular Formula: C20H16 Cl2 N2 O2
• Molecular Weight: 387.2592
• European Community (EC) Number: 666-362-2
• NSC Number: 102177
• DSSTox Substance ID: DTXSID30295467
• Nikkaji Number: J387.783C
• Wikidata: Q82035412
• ChEMBL ID: CHEMBL2252833
• Mol file: 17123-20-5.mol

Synonyms:17123-20-5;2,5-dichloro-3,6-bis[(4-methylphenyl)amino]cyclohexa-2,5-diene-1,4-dione;2,5-dichloro-3,6-di(4-toluidino)benzo-1,4-quinone;NSC102177;CHEMBL2252833;DTXSID30295467;STL433989;AKOS027269967;NSC-102177

Chemical Property of 2,5-Dichloro-3,6-bis[(4-methylphenyl)amino]cyclohexa-2,5-diene-1,4-dione

Chemical Property:

• Vapor Pressure: 5.78E-10mmHg at 25°C
• Boiling Point: 495.7°Cat760mmHg
• Flash Point: 253.6°C
• Density: 1.38g/cm³
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 386.0588831
• Heavy Atom Count: 26
• Complexity: 584

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NC2=C(C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C)Cl

Technology Process of 2,5-Dichloro-3,6-bis[(4-methylphenyl)amino]cyclohexa-2,5-diene-1,4-dione

There total 3 articles about 2,5-Dichloro-3,6-bis[(4-methylphenyl)amino]cyclohexa-2,5-diene-1,4-dione 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: 94.0%

chloranil (118-75-2) + p-toluidine (106-49-0,12221-03-3) → 2,5-bis (p-tolylamino)-3,6-dichlorocyclohexa-2,5-diene-1,4-dione (17123-20-5)

Guidance literature:

With silica gel; for 0.0138889h; Microwave irradiation; neat (no solvent);

Reference yield: 53.0%

N-(4-dimethylaminobenzylidene)-p-toluidine (17087-90-0,149742-33-6) + chloranil (118-75-2) → 2,5-bis (p-tolylamino)-3,6-dichlorocyclohexa-2,5-diene-1,4-dione (17123-20-5)

Guidance literature:

With oxygen; In ethyl acetate; for 48h; Ambient temperature;

DOI:10.1246/bcsj.64.1966

Reference yield:

→ 2,5-bis (p-tolylamino)-3,6-dichlorocyclohexa-2,5-diene-1,4-dione (17123-20-5)

Guidance literature:

/BRN= 3519357/;

upstream raw materials:

chloranil

p-toluidine

N-(4-dimethylaminobenzylidene)-p-toluidine

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