3-Chloro-4-[4-(dimethylamino)phenyl]cyclobut-3-ene-1,2-dione

Base Information

• Chemical Name: 3-Chloro-4-[4-(dimethylamino)phenyl]cyclobut-3-ene-1,2-dione
• CAS No.: 107885-40-5
• Molecular Formula: C12H10ClNO2
• Molecular Weight: 235.67
• DSSTox Substance ID: DTXSID50555813
• Wikidata: Q82437237

Synonyms:107885-40-5;3-Chloro-4-[4-(dimethylamino)phenyl]cyclobut-3-ene-1,2-dione;SCHEMBL10463403;DTXSID50555813

Chemical Property of 3-Chloro-4-[4-(dimethylamino)phenyl]cyclobut-3-ene-1,2-dione

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 235.0400063
• Heavy Atom Count: 16
• Complexity: 365

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC=C(C=C1)C2=C(C(=O)C2=O)Cl

Technology Process of 3-Chloro-4-[4-(dimethylamino)phenyl]cyclobut-3-ene-1,2-dione

There total 1 articles about 3-Chloro-4-[4-(dimethylamino)phenyl]cyclobut-3-ene-1,2-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: 23.0%

3,4-Dichlorocyclobut-3-ene-1,2-dione (2892-63-9) + N,N-dimethyl-aniline (121-69-7,77733-26-7) → 3-chloro-4-(4-dimethylamino-phenyl)-cyclobut-3-ene-1,2-dione (107885-40-5)

Guidance literature:

In dichloromethane; at 120 ℃; for 0.166667h; microwave irradiation;

DOI:10.1021/ol036121w

Reference yield: 90.8%

N-methylquinaldinium iodide (876-87-9) + 3-chloro-4-(4-dimethylamino-phenyl)-cyclobut-3-ene-1,2-dione (107885-40-5) → C23H20N2O2

Guidance literature:

With triethylamine; In ethanol; for 3h; Reflux;

DOI:10.1016/j.dyepig.2018.10.064

Reference yield: 86.0%

1,2,3-trimethylbenzimidazolium iodide (3805-38-7) + 3-chloro-4-(4-dimethylamino-phenyl)-cyclobut-3-ene-1,2-dione (107885-40-5) → C22H21N3O2

Guidance literature:

In methanol; for 3h; Reflux;

DOI:10.1002/chem.201801518

upstream raw materials:

3,4-Dichlorocyclobut-3-ene-1,2-dione

N,N-dimethyl-aniline

Downstream raw materials:

3-(4-(N,N-dimethylamino)phenyl)-4-hydroxycyclobut-3-ene-1,2-dione

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