2,5-Bis(4-butylphenyl)-3,6-dichlorocyclohexa-2,5-diene-1,4-dione

Base Information

• Chemical Name: 2,5-Bis(4-butylphenyl)-3,6-dichlorocyclohexa-2,5-diene-1,4-dione
• CAS No.: 28293-36-9
• Molecular Formula: C₂₆H₂₆Cl₂O₂
• Molecular Weight: 441.397
• NSC Number: 122403
• DSSTox Substance ID: DTXSID00298309
• Wikidata: Q82040043
• Mol file: 28293-36-9.mol

Synonyms:28293-36-9;2,5-bis(4-butylphenyl)-3,6-dichlorocyclohexa-2,5-diene-1,4-dione;NSC122403;DTXSID00298309;NSC-122403

Chemical Property of 2,5-Bis(4-butylphenyl)-3,6-dichlorocyclohexa-2,5-diene-1,4-dione

Chemical Property:

• Vapor Pressure: 1.16E-12mmHg at 25°C
• Boiling Point: 562.1°Cat760mmHg
• Flash Point: 233.1°C
• Density: 1.22g/cm³
• XLogP3: 8.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 440.1309855
• Heavy Atom Count: 30
• Complexity: 630

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC=C(C=C1)C2=C(C(=O)C(=C(C2=O)Cl)C3=CC=C(C=C3)CCCC)Cl

Technology Process of 2,5-Bis(4-butylphenyl)-3,6-dichlorocyclohexa-2,5-diene-1,4-dione

There total 1 articles about 2,5-Bis(4-butylphenyl)-3,6-dichlorocyclohexa-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:

4-Butylaniline (104-13-2) + 2,5-Dichloro-1,4-benzoquinone (615-93-0) → 2,5-Bis-(4-butyl-phenyl)-3,6-dichloro-[1,4]benzoquinone (28293-36-9)

Guidance literature:

Multistep reaction; (i) NaNO₂, aq. HCl, (ii) /BRN= 1864206/, aq. NaOAc;

DOI:10.1021/jm00296a023

Reference yield:

2,5-Bis-(4-butyl-phenyl)-3,6-dichloro-[1,4]benzoquinone (28293-36-9) → 2,5-Bis-(4-butyl-phenyl)-3,6-dihydroxy-[1,4]benzoquinone (27246-39-5)

Guidance literature:

With sodium hydroxide; In methanol; Heating;

DOI:10.1021/jm00296a023

upstream raw materials:

4-Butylaniline

2,5-Dichloro-1,4-benzoquinone

Downstream raw materials:

2,5-Bis-(4-butyl-phenyl)-3,6-dihydroxy-[1,4]benzoquinone

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