1-(2,3-Dimethylphenyl)-1H-pyrrole-2,5-dione

Base Information

• Chemical Name: 1-(2,3-Dimethylphenyl)-1H-pyrrole-2,5-dione
• CAS No.: 31581-09-6
• Molecular Formula: C12H11 N O2
• Molecular Weight: 201.225
• Hs Code.: 2925190090
• European Community (EC) Number: 666-308-8
• DSSTox Substance ID: DTXSID50953552
• Nikkaji Number: J670.440I
• Wikidata: Q82932436
• Mol file: 31581-09-6.mol

Synonyms:1-(2,3-Dimethylphenyl)-1H-pyrrole-2,5-dione;31581-09-6;N-2,3-Xylylmaleimide;N-(2,3-Dimethylphenyl)maleimide;1-(2,3-dimethylphenyl)pyrrole-2,5-dione;Maleimide, N-2,3-xylyl-;1-(2,3-Dimethyl-phenyl)-pyrrole-2,5-dione;1H-Pyrrole-2,5-dione, 1-(2,3-dimethylphenyl)-;1-(2,3-dimethylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione;MFCD00030660;n-(2,3-xylyl)maleimide;SCHEMBL710771;DTXSID50953552;STK347683;AKOS000248185;LS-05943;LS-88705;UPCMLD0ENAT0519-1011:001;CS-0279556;FT-0638982;EN300-44325;1-(2,3-Dimethylphenyl)-1H-pyrrole-2,5-dione #;A911564;SR-01000003911;SR-01000003911-1;Z56936769;Pyrrole-2,5-dione, 2,5-dihydro-1-(2,3-dimethylphenyl)-

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

Chemical Property:

• Vapor Pressure: 4.97E-05mmHg at 25°C
• Boiling Point: 348.6°Cat760mmHg
• PKA: 0.03±0.20(Predicted)
• Flash Point: 158.9°C
• PSA: 37.38000
• Density: 1.235g/cm³
• LogP: 1.79780
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 201.078978594
• Heavy Atom Count: 15
• Complexity: 304

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-(2,3-XYLYL)MALEIMIDE AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Low toxicity by ingestion and inhalation. A severe eye irritant.
• Hazard Codes: Low toxicity by ingestion and inhalation. A severe eye irritant.

MSDS Files:

SDS file from LookChem

Useful:

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

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

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

C12H13NO3 (198220-51-8) → N-(2,3-dimethylphenyl)maleimide (31581-09-6)

Guidance literature:

With sodium acetate; acetic anhydride; at 80 ℃; for 0.5h;

DOI:10.3762/bjoc.10.62

Reference yield:

maleic anhydride (108-31-6) + 2,3-Dimethylaniline (87-59-2) → N-(2,3-dimethylphenyl)maleimide (31581-09-6)

Guidance literature:

With toluene-4-sulfonic acid; In tert-Amyl alcohol; toluene;

Reference yield:

2,3-Dimethylaniline (87-59-2) → N-(2,3-dimethylphenyl)maleimide (31581-09-6)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether / 1 h / 20 °C

2: acetic anhydride; sodium acetate / 0.5 h / 80 °C

With sodium acetate; acetic anhydride; In diethyl ether;

DOI:10.3762/bjoc.10.62

upstream raw materials:

maleic anhydride

2,3-Dimethylaniline

C₁₂H₁₃NO₃

Refernces

• 1、 -. "N-(substituted) maleimides and compositions incorporating the same". . . Retrieved 2008/06/13.