1h-Pyrrole-2,5-dione, 1-[4-(acetyloxy)phenyl]-

Base Information

• Chemical Name: 1h-Pyrrole-2,5-dione, 1-[4-(acetyloxy)phenyl]-
• CAS No.: 6637-46-3
• Molecular Formula: C12H9 N O4
• Molecular Weight: 231.208
• Hs Code.: 2925190090
• NSC Number: 52629,19634
• DSSTox Substance ID: DTXSID70280993
• Nikkaji Number: J676.640D
• Wikidata: Q82014713
• Mol file: 6637-46-3.mol

Synonyms:6637-46-3;[4-(2,5-dioxopyrrol-1-yl)phenyl] acetate;4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate;1h-pyrrole-2,5-dione, 1-[4-(acetyloxy)phenyl]-;N-(4-acetoxyphenyl)maleimide;NSC19634;N-4-acetoxy phenyl maleimide;N-(4-acetoxylphenyl)maleimide;SCHEMBL5073167;DTXSID70280993;NSC52629;NSC-19634;NSC-52629;STK004415;AKOS000296056;Dihydropyrrol-2,5-dione, N-[4-acetoxyphenyl]-;4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate #

Chemical Property of 1h-Pyrrole-2,5-dione, 1-[4-(acetyloxy)phenyl]-

Chemical Property:

• Vapor Pressure: 2.46E-06mmHg at 25°C
• Boiling Point: 391.4°C at 760 mmHg
• PKA: -1.49±0.20(Predicted)
• Flash Point: 190.5°C
• PSA: 63.68000
• Density: 1.377g/cm³
• LogP: 1.10630
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 231.05315777
• Heavy Atom Count: 17
• Complexity: 362

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC=C(C=C1)N2C(=O)C=CC2=O

Technology Process of 1h-Pyrrole-2,5-dione, 1-[4-(acetyloxy)phenyl]-

There total 5 articles about 1h-Pyrrole-2,5-dione, 1-[4-(acetyloxy)phenyl]- 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: 80.0%

4'-hydroxymaleanilic acid (143629-26-9,28173-23-1) + sodium acetate (127-09-3) → 4-(acetoxyphenyl)maleimide (6637-46-3)

Guidance literature:

at 80 - 85 ℃; for 4h;

DOI:10.1081/SCC-200066665

Reference yield: 50.0%

maleic anhydride (108-31-6) + p-aminophenyl acetate (13871-68-6) → 4-(acetoxyphenyl)maleimide (6637-46-3)

Guidance literature:

maleic anhydride; p-aminophenyl acetate; In diethyl ether; for 0.333333h;

With sodium acetate; acetic anhydride; at 100 ℃; for 2h;

DOI:10.1002/jhet.198

Reference yield:

N-(4-hydroxyphenyl)maleimide (7300-91-6) + acetic anhydride (108-24-7) → 4-(acetoxyphenyl)maleimide (6637-46-3)

Guidance literature:

With sodium acetate; at 90 ℃; for 3h;

upstream raw materials:

4'-hydroxymaleanilic acid

sodium acetate

acetic anhydride

N-(4-hydroxyphenyl)maleimide

Downstream raw materials:

(1R,3aS,6aR)-methyl 5-(4-acetoxyphenyl)-4,6-dioxo-3-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole-1-carboxylate

N-(4-acetoxyphenyl)-2-{2-[5-(4-methoxyphenyl)-3-phenyl-4,5-dihydropyrazol-1- yl]-4-oxo-4,5-dihydrothiazol-5-yl}acetamide

C₁₆H₁₇NO₅

N-(4-hydroxyphenyl)maleimide