3-Chloro-4-methyl-1H-pyrrole-2,5-dione

Base Information

• Chemical Name: 3-Chloro-4-methyl-1H-pyrrole-2,5-dione
• CAS No.: 69636-50-6
• Molecular Formula: C₅H₄ClNO₂
• Molecular Weight: 145.545
• UNII: S74CO9002E
• DSSTox Substance ID: DTXSID60989746
• Wikidata: Q27288756
• Mol file: 69636-50-6.mol

Synonyms:3-Chloro-4-methyl-1H-pyrrole-2,5-dione;CCRIS 8820;69636-50-6;UNII-S74CO9002E;1H-Pyrrole-2,5-dione, 3-chloro-4-methyl;S74CO9002E;1H-Pyrrole-2,5-dione, 3-chloro-4-methyl-;SCHEMBL13287284;DTXSID60989746;3-chloro-4-methyl1H-pyrrole-2,5-dione;LS-188726;3-Chloro-5-hydroxy-4-methyl-2H-pyrrol-2-one;Q27288756

Chemical Property of 3-Chloro-4-methyl-1H-pyrrole-2,5-dione

Chemical Property:

• Vapor Pressure: 0.0287mmHg at 25°C
• Boiling Point: 245.4°C at 760 mmHg
• Flash Point: 102.2°C
• Density: 1.46g/cm³
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 144.9930561
• Heavy Atom Count: 9
• Complexity: 219

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: CC1=C(C(=O)NC1=O)Cl

Technology Process of 3-Chloro-4-methyl-1H-pyrrole-2,5-dione

There total 3 articles about 3-Chloro-4-methyl-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:

citraconimide (1072-87-3) → 3-chloro-4-methyl-1H-pyrrole-2,5-dione (69636-50-6)

Guidance literature:

Multi-step reaction with 2 steps

1: Cl₂ / Irradiation

2: H₂O / Heating

With chlorine; In water;

DOI:10.1021/jo00239a041

Reference yield:

2,3-dichloro-2-methylsuccinimide (69636-49-3) → 3-chloro-4-methyl-1H-pyrrole-2,5-dione (69636-50-6)

Guidance literature:

In water; Heating;

DOI:10.1021/jo00239a041

Reference yield:

→ 3-chloro-4-methyl-1H-pyrrole-2,5-dione (69636-50-6)

Guidance literature:

3,5-Dichlor-3-methylsuccinimid (5), H2O, thermisch;

upstream raw materials:

2,3-dichloro-2-methylsuccinimide

citraconimide

Downstream raw materials:

3-(dichloromethylene)-4,4-dichloro-2,5-pyrrolidinedione