3-Anilino-4-chloro-1-(4-ethylphenyl)pyrrole-2,5-dione

Base Information

Chemical Name:3-Anilino-4-chloro-1-(4-ethylphenyl)pyrrole-2,5-dione
CAS No.:6864-71-7
Molecular Formula:C₁₃H₁₅NO₄
Molecular Weight:249.266
Hs Code.:
DSSTox Substance ID:DTXSID00364715
Wikidata:Q82148822

Synonyms:6864-71-7;3-anilino-4-chloro-1-(4-ethylphenyl)pyrrole-2,5-dione;DTXSID00364715

Suppliers and Price of 3-Anilino-4-chloro-1-(4-ethylphenyl)pyrrole-2,5-dione

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of 3-Anilino-4-chloro-1-(4-ethylphenyl)pyrrole-2,5-dione

Chemical Property:

Vapor Pressure:2.95E-08mmHg at 25°C
Boiling Point:449.1°Cat760mmHg
Flash Point:225.4°C
Density:1.35g/cm³
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:326.0822054
Heavy Atom Count:23
Complexity:503

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC=C3

Technology Process of 3-Anilino-4-chloro-1-(4-ethylphenyl)pyrrole-2,5-dione

There total 3 articles about 3-Anilino-4-chloro-1-(4-ethylphenyl)pyrrole-2,5-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: 12.0%

: 50-00-0,30525-89-4,61233-19-0
formaldehyd

: 529-84-0
6,7-dihydroxy-4-methylcoumarin

: 124-40-3
dimethyl amine

: 6864-71-7
8-((dimethylamino)methyl)-4-methyl-2H-chromen-2-one

Guidance literature:: formaldehyd; dimethyl amine; In methanol; water; at 50 ℃; for 0.5h;

6,7-dihydroxy-4-methylcoumarin; In methanol; water;
DOI:10.1039/c5ra06070b

Reference yield:

: 613-03-6
1,2,4-triacetoxybenzene

: 6864-71-7
8-((dimethylamino)methyl)-4-methyl-2H-chromen-2-one

Guidance literature:: Multi-step reaction with 2 steps

1: perchloric acid / 20 °C

2: methanol; water / 0.5 h / 50 °C

With perchloric acid; In methanol; water; 1: |von Pechmann Cycloaddition / 2: |Mannich Aminomethylation / 2: |Mannich Aminomethylation;
DOI:10.1039/c5ra06070b