1-(5-Chloro-2-methylphenyl)-1H-pyrrole-2,5-dione

Base Information

• Chemical Name: 1-(5-Chloro-2-methylphenyl)-1H-pyrrole-2,5-dione
• CAS No.: 58670-26-1
• Molecular Formula: C₁₁H₈ClNO₂
• Molecular Weight: 221.643
• DSSTox Substance ID: DTXSID001238345
• ChEMBL ID: CHEMBL4521201
• Mol file: 58670-26-1.mol

Synonyms:1-(5-Chloro-2-methylphenyl)-1H-pyrrole-2,5-dione;58670-26-1;1-(5-chloro-2-methylphenyl)pyrrole-2,5-dione;1-(5-Chloro-2-methylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione;Cyto8F6;SCHEMBL9152877;CHEMBL4521201;DTXSID001238345;MFCD00125899;STK052370;AKOS000248181;LS-05739;CS-0279678;EN300-44392;1-(5-Chloro-2-methylphenyl)-1H-pyrrole-2,5-dione #

Chemical Property of 1-(5-Chloro-2-methylphenyl)-1H-pyrrole-2,5-dione

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 221.0243562
• Heavy Atom Count: 15
• Complexity: 309

Purity/Quality:

98%min ^*data from raw suppliers

1-(5-Chloro-2-methylphenyl)-1H-pyrrole-2,5-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)Cl)N2C(=O)C=CC2=O

Technology Process of 1-(5-Chloro-2-methylphenyl)-1H-pyrrole-2,5-dione

There total 2 articles about 1-(5-Chloro-2-methylphenyl)-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:

C11H10ClNO3 (175205-20-6,208663-08-5) → C11H8ClNO2 (58670-26-1)

Guidance literature:

With sodium acetate; In acetic anhydride; at 120 ℃; for 0.5h; Microwave irradiation;

DOI:10.1016/j.ejmech.2020.112115

Reference yield:

5-chloro-2-methyl-benzenamine (95-79-4) → C11H8ClNO2 (58670-26-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 0.5 h / 20 °C

2: sodium acetate / acetic anhydride / 0.5 h / 120 °C / Microwave irradiation

With sodium acetate; In acetic anhydride;

DOI:10.1016/j.ejmech.2020.112115

upstream raw materials:

C₁₁H₁₀ClNO₃

5-chloro-2-methyl-benzenamine

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