2,3-Dichloro-5,6-dimethyl-1,4-benzoquinone

Base Information

• Chemical Name: 2,3-Dichloro-5,6-dimethyl-1,4-benzoquinone
• CAS No.: 15707-31-0
• Molecular Formula: C8H6Cl2O2
• Molecular Weight: 205.04
• DSSTox Substance ID: DTXSID50394148
• Nikkaji Number: J2.617.381G
• Wikidata: Q82193379
• ChEMBL ID: CHEMBL2252826
• Mol file: 15707-31-0.mol

Synonyms:15707-31-0;2,3-dichloro-5,6-dimethyl-1,4-benzoquinone;2,5-Cyclohexadiene-1,4-dione, 2,3-dichloro-5,6-dimethyl-;2,3-dichloro-5,6-dimethylcyclohexa-2,5-diene-1,4-dione;dimethyldichloroquinone;SCHEMBL2575338;CHEMBL2252826;DTXSID50394148;BCP29032;AKOS024342648;2,3-dichloro-5,6-dimethylbenzo-1,4-quinone;2,5-Cyclohexadiene-1,4-dione, 2,3-dichloro-5,6-dimethyl-dimethyldichloroquinone

Chemical Property of 2,3-Dichloro-5,6-dimethyl-1,4-benzoquinone

Chemical Property:

• PSA: 34.14000
• LogP: 2.16380
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 203.9744848
• Heavy Atom Count: 12
• Complexity: 305

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)C(=C(C1=O)Cl)Cl)C

Technology Process of 2,3-Dichloro-5,6-dimethyl-1,4-benzoquinone

There total 12 articles about 2,3-Dichloro-5,6-dimethyl-1,4-benzoquinone 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: 30.0%

1,2,3,4-tetrachloro-5,6-dimethyl-benzene (877-08-7) → tetrachlorophthalonitrile (1953-99-7) + carbon monoxide (201230-82-2) + 2,3‐dichloro-5,6‐dimethyl‐1,4‐benzoquinone (15707-31-0) + tetrachloro-o-tolunitrile (113791-92-7)

Guidance literature:

With ammonia; oxygen; vanadium-tin oxide; at 330 - 360 ℃; for 8.33333E-05h; Yield given. Further byproducts given. Title compound not separated from byproducts;

Reference yield: 30.0%

1,2,3,4-tetrachloro-5,6-dimethyl-benzene (877-08-7) → tetrachlorophthalonitrile (1953-99-7) + 2,3‐dichloro-5,6‐dimethyl‐1,4‐benzoquinone (15707-31-0) + 3,4-Dichloro-5,6-dimethyl-[1,2]benzoquinone + tetrachloro-o-tolunitrile (113791-92-7)

Guidance literature:

With ammonia; oxygen; vanadium-tin oxide; at 330 - 360 ℃; for 8.33333E-05h; Yield given. Further byproducts given. Title compound not separated from byproducts;

Reference yield: 30.0%

1,2,3,4-tetrachloro-5,6-dimethyl-benzene (877-08-7) → tetrachlorophthalonitrile (1953-99-7) + 3,4,5,6-tetrachlorophthalimide (1571-13-7) + 2,3‐dichloro-5,6‐dimethyl‐1,4‐benzoquinone (15707-31-0) + tetrachloro-o-tolunitrile (113791-92-7)

Guidance literature:

With ammonia; oxygen; vanadium-tin oxide; at 375 - 405 ℃; for 8.33333E-05h; Yield given. Further byproducts given. Title compound not separated from byproducts;

upstream raw materials:

2,3-dichloro-5,6-dimethyl-p-phenylenediamine

1,2,3,4-tetrachloro-5,6-dimethyl-benzene

acetic acid

2,3-dimethylhydroquinone

Downstream raw materials:

(2-chloro-4,5-dimethyl-3,6-dioxo-cyclohexa-1,4-dienyl)-cyano-acetic acid ethyl ester

cyano-(4,5-dimethyl-3,6-dioxo-2-phenylsulfanyl-cyclohexa-1,4-dienyl)-acetic acid methyl ester