Methyl 2-(2,5-dioxopyrrolidin-1-yl)benzoate

Base Information

• Chemical Name: Methyl 2-(2,5-dioxopyrrolidin-1-yl)benzoate
• CAS No.: 77741-53-8
• Molecular Formula: C₁₂H₁₁NO₄
• Molecular Weight: 233.224
• Hs Code.: 2925190090
• DSSTox Substance ID: DTXSID30460537
• Wikidata: Q82284607
• Mol file: 77741-53-8.mol

Synonyms:Methyl 2-(2,5-dioxopyrrolidin-1-yl)benzoate;77741-53-8;Methyl 2-(2,5-dioxo-1-pyrrolidinyl)-benzenecarboxylate;methyl 2-(2,5-dioxo-1-pyrrolidinyl)benzenecarboxylate;Methyl2-(2,5-dioxopyrrolidin-1-yl)benzoate;DTXSID30460537;JS-204C;CDA74153;MFCD01158843;AKOS005073213;CS-0455757;J-521806

Chemical Property of Methyl 2-(2,5-dioxopyrrolidin-1-yl)benzoate

Chemical Property:

• Melting Point: 79-80
• PSA: 63.68000
• LogP: 1.19160
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 233.06880783
• Heavy Atom Count: 17
• Complexity: 336

Purity/Quality:

98%min ^*data from raw suppliers

Methyl 2-(2,5-dioxopyrrolidin-1-yl)benzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=CC=C1N2C(=O)CCC2=O

Technology Process of Methyl 2-(2,5-dioxopyrrolidin-1-yl)benzoate

There total 2 articles about Methyl 2-(2,5-dioxopyrrolidin-1-yl)benzoate 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: 81.0%

4-[{2-(methoxycarbonyl)phenyl}amino]-4-oxobutanoic acid (108540-96-1) → methyl 2-(2,5-dioxopyrrolidin-1-yl)benzoate (77741-53-8)

Guidance literature:

With ammonium peroxodisulfate; In 1,4-dioxane; dimethyl sulfoxide; at 100 ℃; for 8h;

DOI:10.3762/bjoc.11.113

Reference yield:

2-carbomethoxyaniline (134-20-3) → methyl 2-(2,5-dioxopyrrolidin-1-yl)benzoate (77741-53-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 1,4-dioxane / 8 h / 100 °C

2: ammonium peroxodisulfate / 1,4-dioxane; dimethyl sulfoxide / 8 h / 100 °C

With ammonium peroxodisulfate; In 1,4-dioxane; dimethyl sulfoxide;

DOI:10.3762/bjoc.11.113

upstream raw materials:

4-[{2-(methoxycarbonyl)phenyl}amino]-4-oxobutanoic acid

2-carbomethoxyaniline

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