1-(2,4-Difluorophenyl)-1H-pyrrole-2,5-dione

Base Information

• Chemical Name: 1-(2,4-Difluorophenyl)-1H-pyrrole-2,5-dione
• CAS No.: 6954-65-0
• Molecular Formula: C10H5 F2 N O2
• Molecular Weight: 209.15
• Hs Code.: 2925190090
• NSC Number: 67698
• DSSTox Substance ID: DTXSID00290262
• Nikkaji Number: J393.655D
• Wikidata: Q82027885
• ChEMBL ID: CHEMBL1774754
• Mol file: 6954-65-0.mol

Synonyms:6954-65-0;1-(2,4-Difluorophenyl)-1H-pyrrole-2,5-dione;N-(2,4-Difluorophenyl)maleimide;1-(2,4-difluorophenyl)pyrrole-2,5-dione;1-(2,4-difluorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione;NSC67698;NCIOpen2_003259;CHEMBL1774754;SCHEMBL14656750;DTXSID00290262;JS-051C;MFCD00033652;NSC-67698;AKOS000116777;CS-0219395;FT-0636313;EN300-03881;A836542;J-502910;Z56891347

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

Chemical Property:

• Vapor Pressure: 0.000848mmHg at 25°C
• Melting Point: 83-85°
• Boiling Point: 304.9°C at 760 mmHg
• PKA: -0.98±0.20(Predicted)
• Flash Point: 138.2°C
• PSA: 37.38000
• Density: 1.508g/cm³
• LogP: 1.45920
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 209.02883473
• Heavy Atom Count: 15
• Complexity: 311

Purity/Quality:

98%min ^*data from raw suppliers

1-(2,4-Difluorophenyl)-2,5-dihydro-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=C1F)F)N2C(=O)C=CC2=O

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

There total 3 articles about 1-(2,4-Difluorophenyl)-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:

N-(2,4-Difluorphenyl)-maleamsaeure (6954-64-9,198077-70-2) → N-(2,4-Difluorphenyl)-maleimid (6954-65-0)

Guidance literature:

With sodium acetate; acetic anhydride; for 2h; Reflux;

DOI:10.1016/j.bmc.2011.03.038

Reference yield:

2,4-difluorophenylamine (367-25-9,76563-56-9) → N-(2,4-Difluorphenyl)-maleimid (6954-65-0)

Guidance literature:

Multi-step reaction with 2 steps

1: chloroform / 1 h / 20 °C

2: sodium acetate; acetic anhydride / 2 h / Reflux

With sodium acetate; acetic anhydride; In chloroform;

DOI:10.1016/j.bmc.2011.03.038

Reference yield:

→ N-(2,4-Difluorphenyl)-maleimid (6954-65-0)

Guidance literature:

N-(2,4-Difluorphenyl)-maleamsaeure, NaOAc, Ac2O, Δ, S.304;

DOI:10.1016/S0022-1139(00)82546-4

upstream raw materials:

2,4-difluorophenylamine

N-(2,4-Difluorphenyl)-maleamsaeure

Downstream raw materials:

C₂₇H₃₃F₂NO₆Si

C₂₅H₂₃F₂NO₂

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