2,5-Dichloro-3,6-diethoxycyclohexa-2,5-diene-1,4-dione

Base Information

• Chemical Name: 2,5-Dichloro-3,6-diethoxycyclohexa-2,5-diene-1,4-dione
• CAS No.: 20764-96-9
• Molecular Formula: C10H10 Cl2 O4
• Molecular Weight: 265.093
• Hs Code.: 2914700090
• NSC Number: 121153
• DSSTox Substance ID: DTXSID80942974
• Nikkaji Number: J83.013E
• Wikidata: Q82919979
• Mol file: 20764-96-9.mol

Synonyms:20764-96-9;2,5-dichloro-3,6-diethoxycyclohexa-2,5-diene-1,4-dione;NSC121153;SCHEMBL12137192;DTXSID80942974;NSC-121153

Chemical Property of 2,5-Dichloro-3,6-diethoxycyclohexa-2,5-diene-1,4-dione

Chemical Property:

• Vapor Pressure: 2.94E-07mmHg at 25°C
• Boiling Point: 419.9°Cat760mmHg
• Flash Point: 182°C
• PSA: 52.60000
• Density: 1.38g/cm³
• LogP: 2.11200
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 263.9956142
• Heavy Atom Count: 16
• Complexity: 358

Purity/Quality:

99% ^*data from raw suppliers

2,5-DICHLORO-3,6-DIETHOXYCYCLOHEXA-2,5-DIENE-1,4-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C(=O)C(=C(C1=O)Cl)OCC)Cl

Technology Process of 2,5-Dichloro-3,6-diethoxycyclohexa-2,5-diene-1,4-dione

There total 8 articles about 2,5-Dichloro-3,6-diethoxycyclohexa-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:

2,5-diethoxy-3,6-dichloro-hydroquinone (858219-10-0) → 2,5-Dichloro-3,6-diethoxy-2,5-cyclohexadiene-1,4-dione (20764-96-9)

Guidance literature:

With iron(III) chloride; bei der Oxidation;

Reference yield:

ethanol (64-17-5) + chloranil (118-75-2) → 2,6-diethoxy-3,5-dichloro-1,4-benzoquinone (20764-97-0) + 2,5-Dichloro-3,6-diethoxy-2,5-cyclohexadiene-1,4-dione (20764-96-9)

Guidance literature:

With triethylamine;

DOI:10.1016/j.crci.2013.10.022

Reference yield:

ethanol (64-17-5) + chloranil (118-75-2) → 2,5-Dichloro-3,6-diethoxy-2,5-cyclohexadiene-1,4-dione (20764-96-9)

Guidance literature:

With potassium hydroxide;

upstream raw materials:

2,5-diethoxy-3,6-dichloro-hydroquinone

ethyl iodide

ethanol

chloranil

Downstream raw materials:

2,5-dichloro-3,6-diethoxy-4-hydroxy-4-<(2-methylphenyl)ethynyl>-2,5-cyclohexadien-1-one

3,6-dichloro-4-ethoxy-5-<(Z)-2-phenylethenyl>-1,2-benzoquinone

3,6-dichloro-4-ethoxy-5-phenethyl-1,2-benzoquinone

5-chloro-4-ethoxy-2-phenyl-6,7-indoloquinone