2,5-Furandione, 3-methyl-4-(2-phenylethyl)-

Base Information

• Chemical Name: 2,5-Furandione, 3-methyl-4-(2-phenylethyl)-
• CAS No.: 100397-07-7
• Molecular Formula: C₁₃H₁₂O₃
• Molecular Weight: 216.236
• DSSTox Substance ID: DTXSID50444733
• Nikkaji Number: J875.189G
• Wikidata: Q82262980
• Mol file: 100397-07-7.mol

Synonyms:2,5-Furandione, 3-methyl-4-(2-phenylethyl)-;100397-07-7;3-METHYL-4-(2-PHENYLETHYL)FURAN-2,5-DIONE;DTXSID50444733;3-Phenethyl-4-methyl-2,5-furandione

Chemical Property of 2,5-Furandione, 3-methyl-4-(2-phenylethyl)-

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 216.078644241
• Heavy Atom Count: 16
• Complexity: 335

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)OC1=O)CCC2=CC=CC=C2

Technology Process of 2,5-Furandione, 3-methyl-4-(2-phenylethyl)-

There total 4 articles about 2,5-Furandione, 3-methyl-4-(2-phenylethyl)- 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:

3-Phenylpropionic acid (501-52-0) → 4-Methyl-3-phenylfuran-2,5-dione (100397-07-7)

Guidance literature:

Multi-step reaction with 2 steps

1: DCC / CH₂Cl₂ / 2 h / Ambient temperature

2: 2.) silica gel / 1.) CH₂Cl₂, 10-15 deg C, irradiation, 30 min, 2.) EtOAc, hexane

With silica gel; dicyclohexyl-carbodiimide; In dichloromethane;

Reference yield:

5-cinnamyl-2,2,5-trimethyl-1,3-dioxane-4,6-dione (140184-28-7) → 4-Methyl-3-phenylfuran-2,5-dione (100397-07-7)

Guidance literature:

With hydrogenchloride; N,N,N,N,-tetramethylethylenediamine; lithium diisopropyl amide; Yield given. Multistep reaction; 1.) THF, 0 deg C, 3 h, 2.) H₂O, 150 deg C, 0.1 Hgmm;

DOI:10.1039/c39880001382

Reference yield:

citraconic acid anhydride (616-02-4) + 3-Phenyl-propionic acid 2-thioxo-2H-pyridin-1-yl ester (114050-31-6) → 4-Methyl-3-phenylfuran-2,5-dione (100397-07-7)

Guidance literature:

With silica gel; Yield given. Multistep reaction; 1.) CH₂Cl₂, 10-15 deg C, irradiation, 30 min, 2.) EtOAc, hexane;

upstream raw materials:

5-cinnamyl-2,2,5-trimethyl-1,3-dioxane-4,6-dione

citraconic acid anhydride

3-Phenyl-propionic acid 2-thioxo-2H-pyridin-1-yl ester

3-Phenylpropionic acid