2,3,5-Trichloro-6-[(E)-2-(diethylamino)vinyl]-1,4-benzoquinone

Base Information

• Chemical Name: 2,3,5-Trichloro-6-[(E)-2-(diethylamino)vinyl]-1,4-benzoquinone
• CAS No.: 54835-85-7
• Molecular Formula: C12H12 Cl3 N O2
• Molecular Weight: 308.592
• NSC Number: 520099
• DSSTox Substance ID: DTXSID60419750
• Nikkaji Number: J1.375.134J
• Wikidata: Q82230931
• Mol file: 54835-85-7.mol

Synonyms:NSC520099;54835-85-7;DTXSID60419750;NSC-520099;2,3,5-Trichloro-6-(2-diethylaminovinyl)-1,4-benzoquinone;2,3,5-Trichloro-6-[(E)-2-(diethylamino)vinyl]-1,4-benzoquinone

Chemical Property of 2,3,5-Trichloro-6-[(E)-2-(diethylamino)vinyl]-1,4-benzoquinone

Chemical Property:

• Vapor Pressure: 9E-05mmHg at 25°C
• Boiling Point: 339.7°Cat760mmHg
• Flash Point: 159.3°C
• Density: 1.38g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 306.993362
• Heavy Atom Count: 18
• Complexity: 474

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C=CC1=C(C(=O)C(=C(C1=O)Cl)Cl)Cl
• Isomeric SMILES: CCN(CC)/C=C/C1=C(C(=O)C(=C(C1=O)Cl)Cl)Cl

Technology Process of 2,3,5-Trichloro-6-[(E)-2-(diethylamino)vinyl]-1,4-benzoquinone

There total 5 articles about 2,3,5-Trichloro-6-[(E)-2-(diethylamino)vinyl]-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:

chloranil (118-75-2) + triethylamine (121-44-8) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 2,3,5,6-tetrachlorobenzene-1,4-diol (87-87-6) + 3,5,6-trichloro-2-(β-diethylaminoethenyl)-1,4-benzoquinone (54835-85-7) + triethylamine hydrochloride (554-68-7)

Guidance literature:

Reference yield:

chloranil (118-75-2) + triethylamine (121-44-8) → 3,5,6-trichloro-2-(β-diethylaminoethenyl)-1,4-benzoquinone (54835-85-7)

Guidance literature:

With benzene; Lichtausschluss;

Reference yield:

chloranil (118-75-2) + acetaldehyde (75-07-0,9002-91-9) + diethylamine (109-89-7) → 3,5,6-trichloro-2-(β-diethylaminoethenyl)-1,4-benzoquinone (54835-85-7)

Guidance literature:

With sodium sulfate; benzene;

upstream raw materials:

chloranil

acetaldehyde

diethylamine

triethylamine

Downstream raw materials:

2,5-dichloro-3,6-bis-(2-diethylamino-vinyl)-[1,4]benzoquinone

2-(2-Allylamino-thiazol-5-yl)-3,5,6-trichloro-benzene-1,4-diol

2,3,5-Trichloro-6-(2-methylamino-thiazol-5-yl)-benzene-1,4-diol

2-amino-5-(3,4,6-trichloro-2,5-dihydroxyphenyl)thiazole