1-(3,4-dichlorophenyl)-1H-pyrrole-2,5-dione

Base Information

• Chemical Name: 1-(3,4-dichlorophenyl)-1H-pyrrole-2,5-dione
• CAS No.: 19844-27-0
• Molecular Formula: C10H5Cl2NO2
• Molecular Weight: 242.061
• Hs Code.: 2925190090
• DSSTox Substance ID: DTXSID00351741
• Nikkaji Number: J195.890I
• Wikidata: Q82128398
• ChEMBL ID: CHEMBL4554151
• Mol file: 19844-27-0.mol

Synonyms:19844-27-0;1-(3,4-dichlorophenyl)-1H-pyrrole-2,5-dione;1-(3,4-dichloro-phenyl)-pyrrole-2,5-dione;1-(3,4-dichlorophenyl)pyrrole-2,5-dione;MFCD00540221;1-(3,4-dichlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione;1-(3,4-Dichlorophenyl)maleimide;Cyto8G6;1-(3,4-dichlorophenyl)azoline-2,5-dione;1H-Pyrrole-2,5-dione, 1-(3,4-dichlorophenyl)-;SCHEMBL2345040;CHEMBL4554151;3,4-dichloro-N-phenyl maleimide;DTXSID00351741;PJBXBDSTURWRBO-UHFFFAOYSA-N;STK347681;AKOS000116618;LS-05729;FT-0605581;EN300-03886;1H-Pyrrole-2,5-dione,1-(3,4-dichlorophenyl)-;1-(3,4-DICHLORO-PHENYL)PYRROLE-2,5-DIONE;Z56891312

Chemical Property of 1-(3,4-dichlorophenyl)-1H-pyrrole-2,5-dione

Chemical Property:

• Vapor Pressure: 1.74E-06mmHg at 25°C
• Refractive Index: 1.648
• Boiling Point: 396.2 °C at 760 mmHg
• Flash Point: 193.4 °C
• PSA: 37.38000
• Density: 1.57 g/cm³
• LogP: 2.48780
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 240.9697338
• Heavy Atom Count: 15
• Complexity: 311

Purity/Quality:

98%min ^*data from raw suppliers

1-(3,4-Dichlorophenyl)-1H-pyrrole-2,5-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1N2C(=O)C=CC2=O)Cl)Cl

Technology Process of 1-(3,4-dichlorophenyl)-1H-pyrrole-2,5-dione

There total 5 articles about 1-(3,4-dichlorophenyl)-1H-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: 91.0%

→ 1-(3,4-dichlorophenyl)pyrrole-2,5-dione (19844-27-0)

Guidance literature:

In diethyl ether; at 20 ℃; for 2h;

Reference yield:

maleic anhydride (108-31-6) + m,p-dichloroaniline (95-76-1) → 1-(3,4-dichlorophenyl)pyrrole-2,5-dione (19844-27-0)

Guidance literature:

maleic anhydride; m,p-dichloroaniline; In 1,2-dichloro-ethane; at 80 ℃; for 3h;

With acetic anhydride; at 100 ℃; for 4h;

Reference yield:

C10H7Cl2NO3 (54012-56-5) → 1-(3,4-dichlorophenyl)pyrrole-2,5-dione (19844-27-0)

Guidance literature:

With sodium acetate; In acetic anhydride; at 20 - 100 ℃; for 0.5h;

DOI:10.1021/jm301565b

upstream raw materials:

N-(3,4-dichloro-phenyl)-maleamic acid

C₁₀H₇Cl₂NO₃

m,p-dichloroaniline

maleic anhydride

Downstream raw materials:

2-[2-(4-chloro-anilino)-4-oxo-4,5-dihydro-thiazol-5-yl]-N-(3,4-dichloro-phenyl)-acetamide

2-Methyl-3-(1,2-O-isopropylidene-α-D-xylo-tetrofuranos-4-yl)-5-(3,4-dichlorophenyl)-4,6-dioxo-2,3,3a,4,6,6a-hexahydropyrrolo<3,4-d>isoxazole

Refernces

• 1、 -. "GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE". Paragraph 001842; 001843; 001844. . Retrieved 2019/07/17.
• 2、 -. "METHODS AND COMPOSITIONS INVOLVING RAD51 INHIBITORS". Page/Page column 43; 48. . Retrieved 2014/06/23.