(3-Acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-pyrrol-1-yl)acetic acid

Base Information

• Chemical Name: (3-Acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-pyrrol-1-yl)acetic acid
• CAS No.: 220128-11-0
• Molecular Formula: C₁₄H₁₃NO₅
• Molecular Weight: 275.261
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00386674
• Mol file: 220128-11-0.mol

Synonyms:220128-11-0;(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-pyrrol-1-yl)acetic acid;2-(3-Acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)acetic acid;2-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl)acetic acid;(3-Acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-pyrrol-1-yl)-acetic acid;(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1h-pyrrol-1-yl)acetic acid;Cambridge id 5791453;DTXSID00386674;STL553865;AKOS000301377;AKOS022183823;CS-0328304;FT-0676631;AB00097092-01;(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-pyrrol-1-yl)-acetic acid, AldrichCPR;2-(3-Acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)aceticacid

Chemical Property of (3-Acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-pyrrol-1-yl)acetic acid

Chemical Property:

• Vapor Pressure: 7.64E-15mmHg at 25°C
• Boiling Point: 591.6°Cat760mmHg
• Flash Point: 311.6°C
• PSA: 94.91000
• Density: g/cm³
• LogP: 0.99350
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 275.07937252
• Heavy Atom Count: 20
• Complexity: 476

Purity/Quality:

97% ^*data from raw suppliers

(3-Acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-pyrrol-1-yl)acetic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2)CC(=O)O)O

Technology Process of (3-Acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-pyrrol-1-yl)acetic acid

There total 1 articles about (3-Acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-pyrrol-1-yl)acetic acid 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: 44.0%

benzaldehyde (100-52-7) + methyl 2,4-dioxopentanoate (20577-61-1) + glycine (56-40-6,18875-39-3,25718-94-9) → (3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-pyrrol-1-yl)-acetic acid (220128-11-0)

Guidance literature:

In ethanol; water; at 20 ℃; for 12h;

DOI:10.1007/BF02539221

Reference yield: 35.0%

4-methoxy-aniline (104-94-9) + (3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-pyrrol-1-yl)-acetic acid (220128-11-0) → (Z)-1-carboxymethyl-4-[1-(4-methoxyphenyl)aminoethylidene]-5-phenylpyrrolidine-2,3-dione

Guidance literature:

In acetic acid; Reflux;

DOI:10.1134/S1070428009020181

upstream raw materials:

benzaldehyde

methyl 2,4-dioxopentanoate

glycine