1H-Pyrrole-1-acetic acid, 2,5-dihydro-2,5-dioxo-, methyl ester

Base Information

• Chemical Name: 1H-Pyrrole-1-acetic acid, 2,5-dihydro-2,5-dioxo-, methyl ester
• CAS No.: 164025-07-4
• Molecular Formula: C7H7NO4
• Molecular Weight: 169.13500
• DSSTox Substance ID: DTXSID10433704
• Nikkaji Number: J1.619.366F
• Wikidata: Q72465023
• Mol file: 164025-07-4.mol

Synonyms:164025-07-4;Methyl 2-(2,5-dioxopyrrol-1-yl)acetate;1H-Pyrrole-1-acetic acid, 2,5-dihydro-2,5-dioxo-, methyl ester;Methyl 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetate;1-(2-Oxo-2-methoxyethyl)-3-pyrroline-2,5-dione;(2,5-dioxo-2,5-dihydro-pyrrol-1-yl)acetic acid methyl ester;AMY526;SCHEMBL5163732;DTXSID10433704;AKOS000249448;Methyl2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetate

Chemical Property of 1H-Pyrrole-1-acetic acid, 2,5-dihydro-2,5-dioxo-, methyl ester

Chemical Property:

• Melting Point: 45-48℃ (ethyl acetate ligroine )
• Boiling Point: 286.6±23.0 °C(Predicted)
• PKA: -2.78±0.20(Predicted)
• PSA: 63.68000
• Density: 1.368±0.06 g/cm3(Predicted)
• LogP: -0.97770
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 169.03750770
• Heavy Atom Count: 12
• Complexity: 251

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CN1C(=O)C=CC1=O

Technology Process of 1H-Pyrrole-1-acetic acid, 2,5-dihydro-2,5-dioxo-, methyl ester

There total 7 articles about 1H-Pyrrole-1-acetic acid, 2,5-dihydro-2,5-dioxo-, methyl ester 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: 98.0%

N,N-maleoyl-glycine (25021-08-3) + methyl iodide (74-88-4) → (2,5-dioxo-2,5-dihydro-pyrrol-1-yl)acetic acid methyl ester (164025-07-4)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 16h;

DOI:10.1039/b406862a

Reference yield: 78.0%

maleic anhydride (108-31-6) + methoxycarbonylmethylamine (616-34-2) → (2,5-dioxo-2,5-dihydro-pyrrol-1-yl)acetic acid methyl ester (164025-07-4)

Guidance literature:

With acetic acid; for 16h; Reflux;

DOI:10.1002/ejoc.202001593

Reference yield: 53.0%

maleiimide (541-59-3,25721-74-8) + glycolic acid methyl ester (96-35-5) → (2,5-dioxo-2,5-dihydro-pyrrol-1-yl)acetic acid methyl ester (164025-07-4)

Guidance literature:

With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; at 25 ℃; for 12h;

DOI:10.1021/jo00113a012

upstream raw materials:

maleiimide

glycolic acid methyl ester

(Z)-N-(3-carboxy-1-oxo-2-propenyl)-glycine methyl ester

maleic anhydride

Downstream raw materials:

methyl endo-2-(3,5-dioxo-4-azatricyclo[5.2.1.0^2,6]dec-8-en-4-yl)-acetate

(5,6-bis{2-[2-(2-(toluol-4-sulfonyloxy)ethoxy)ethoxy]ethoxy}-1,3-dioxo-1,3-dihydroisoindol-2-yl)acetic acid methyl ester

⁽¹⁸⁾F-methyl 2-[3-(4-fluorophenyl)-4,6-dioxo-3aH,6aH-pyrrolo[3,4-d][1,2]oxazol-5-yl]acetate

methyl 2-[3-(4-fluorophenyl)-4,6-dioxo-3aH,6aH-pyrrolo[3,4-d][1,2]oxazol-5-yl]acetate

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