2,3,5-Trichloro-6-methoxycyclohexa-2,5-diene-1,4-dione

Base Information

• Chemical Name: 2,3,5-Trichloro-6-methoxycyclohexa-2,5-diene-1,4-dione
• CAS No.: 69371-41-1
• Molecular Formula: C7H3Cl3O3
• Molecular Weight: 241.458
• DSSTox Substance ID: DTXSID80592670
• Nikkaji Number: J582.051K
• Wikidata: Q82486896
• Mol file: 69371-41-1.mol

Synonyms:69371-41-1;2,3,5-Trichloro-6-methoxycyclohexa-2,5-diene-1,4-dione;methoxytrichloro-p-benzoquinone;SCHEMBL1717135;DTXSID80592670

Chemical Property of 2,3,5-Trichloro-6-methoxycyclohexa-2,5-diene-1,4-dione

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 239.914777
• Heavy Atom Count: 13
• Complexity: 354

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C(=O)C(=C(C1=O)Cl)Cl)Cl

Technology Process of 2,3,5-Trichloro-6-methoxycyclohexa-2,5-diene-1,4-dione

There total 6 articles about 2,3,5-Trichloro-6-methoxycyclohexa-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: 72.0%

sodium methylate (124-41-4) + chloranil (118-75-2) → 2,3,5-trichloro-6-methoxycyclohexa-2,5-diene-1,4-dione (69371-41-1)

Guidance literature:

In methanol; at 70 ℃; for 12h; Inert atmosphere;

DOI:10.1016/j.molstruc.2012.09.062

Reference yield: 63.0%

sodium methylate (124-41-4) + chloranil (118-75-2) → 2,5-dichloro-3,6-dimethoxy-1,4-benzoquinone (7210-71-1) + 2,3,5-trichloro-6-methoxycyclohexa-2,5-diene-1,4-dione (69371-41-1) + 2-chloro-3,5,6-trimethoxycyclohexa-2,5-diene-1,4-dione (51783-56-3)

Guidance literature:

In methanol; at 20 - 70 ℃; for 12h; Inert atmosphere;

DOI:10.1016/j.saa.2013.01.016

Reference yield: 60.0%

methanol (67-56-1) + chloranil (118-75-2) → 2,3,5-trichloro-6-methoxycyclohexa-2,5-diene-1,4-dione (69371-41-1)

Guidance literature:

With triethylamine; at 60 ℃; for 0.25h;

upstream raw materials:

1,2,4-trimethoxy-benzene

methanol

chloranil

sodium methylate

Downstream raw materials:

5-hydroxyl-2,3,6-trichloro-1,4-benzoquinone

2,5-Dichloro-3-methoxy-6-(1'-triphenylphosphoniocyclopentadien-3-yl)-p-benzoquinone

C₁₃H₈Cl₂FNO₆S

2,5-dichloro-6-methoxy-3-(4-amino-N-(5-methylisoxazol-3-yl)-benzene sulfonamide)cyclohexa-2,5-diene-1,4-dione