3-Methyl-4-phenylfuran-2,5-dione

Base Information

• Chemical Name: 3-Methyl-4-phenylfuran-2,5-dione
• CAS No.: 41016-29-9
• Molecular Formula: C11H8O3
• Molecular Weight: 188.183
• NSC Number: 171189
• DSSTox Substance ID: DTXSID40305581
• Nikkaji Number: J338.019J
• Wikidata: Q82052244
• Mol file: 41016-29-9.mol

Synonyms:3-methyl-4-phenylfuran-2,5-dione;41016-29-9;3-METHYL-4-PHENYL-2,5-FURANDIONE;NSC171189;SCHEMBL10684202;DTXSID40305581;MFCD09867783;AKOS024330057;NSC-171189;SB61838;AM806129;BS-32413;CS-0205192;3-methyl-4-phenyl-2,5-dihydrofuran-2,5-dione;A923816

Chemical Property of 3-Methyl-4-phenylfuran-2,5-dione

Chemical Property:

• Vapor Pressure: 6.69E-05mmHg at 25°C
• Boiling Point: 344.2°Cat760mmHg
• Flash Point: 165.8°C
• Density: 1.287g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 188.047344113
• Heavy Atom Count: 14
• Complexity: 309

Purity/Quality:

97% ^*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)C2=CC=CC=C2

Technology Process of 3-Methyl-4-phenylfuran-2,5-dione

There total 21 articles about 3-Methyl-4-phenylfuran-2,5-dione 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%

phenylglyoxylic acid ethyl ester (1603-79-8) + propionic acid anhydride (123-62-6) → 2-methyl-3-phenylmaleic anhydride (41016-29-9)

Guidance literature:

With tributyl-amine; titanium tetrachloride; In dichloromethane; 1,2-dichloro-ethane; for 12h; Heating;

DOI:10.1016/j.tetlet.2006.01.134

Reference yield: 68.0%

(E)-5-(3,3-diisopropyltriaz-1-en-1-yl)-3-hydroxy-3-(naphthalen-1-yl)-4-phenylfuran-2(3H)-one → 2-methyl-3-phenylmaleic anhydride (41016-29-9)

Guidance literature:

With boron trifluoride diethyl etherate; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1021/acs.joc.1c02727

Reference yield: 53.0%

phenylacetic acid (103-82-2) + sodium pyruvate (113-24-6) → 2-methyl-3-phenylmaleic anhydride (41016-29-9)

Guidance literature:

With acetic anhydride; for 3h; Reflux; Inert atmosphere;

DOI:10.1021/acs.orglett.5b02079

upstream raw materials:

2-methyl-3-phenyl-succinic acid-anhydride

6a-Phenyl-3a,6a-dihydro-3H-furo[3,4-c]pyrazole-4,6-dione

3-cyano-2-hydroxy-2-methyl-3-phenyl-propionic acid

hydrogenchloride

Downstream raw materials:

Methyl-phenyl-fumarsaeure

α-(2-methyl-2,3-dihydro-3-oxo-1,4-benzothiazin-2-yl)phenylacetic acid

N-benzyl-3-methyl-4-phenylmaleimide

3-(bromomethyl)-4-phenylfuran-2,5-dione

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