5-Methyl-2-oxo-5-phenyl-2,5-dihydrofuran-3-carboxylic acid methyl ester

Base Information

• Chemical Name: 5-Methyl-2-oxo-5-phenyl-2,5-dihydrofuran-3-carboxylic acid methyl ester
• CAS No.: 67498-41-3
• Molecular Formula: C13H12O4
• Molecular Weight: 232.23200
• DSSTox Substance ID: DTXSID90464415
• Mol file: 67498-41-3.mol

Synonyms:67498-41-3;5-METHYL-2-OXO-5-PHENYL-2,5-DIHYDROFURAN-3-CARBOXYLIC ACID METHYL ESTER;Methyl 5-methyl-2-oxo-5-phenyl-2,5-dihydrofuran-3-carboxylate;DTXSID90464415;AKOS015963575;FT-0721206

Chemical Property of 5-Methyl-2-oxo-5-phenyl-2,5-dihydrofuran-3-carboxylic acid methyl ester

Chemical Property:

• Boiling Point: 399.8±42.0 °C(Predicted)
• PSA: 52.60000
• Density: 1.236±0.06 g/cm3(Predicted)
• LogP: 1.55800
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 232.07355886
• Heavy Atom Count: 17
• Complexity: 366

Purity/Quality:

5-METHYL-2-OXO-5-PHENYL-2,5-DIHYDROFURAN-3-CARBOXYLIC ACID METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C=C(C(=O)O1)C(=O)OC)C2=CC=CC=C2

Technology Process of 5-Methyl-2-oxo-5-phenyl-2,5-dihydrofuran-3-carboxylic acid methyl ester

There total 5 articles about 5-Methyl-2-oxo-5-phenyl-2,5-dihydrofuran-3-carboxylic acid 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: 79.0%

methyl 2-methoxy-5-phenyl-furan-3-carboxylate (115852-13-6) + methyl iodide (74-88-4) → 3-(methoxycarbonyl)-5-phenyl-5-methyl-2(5H)-furanone (67498-41-3)

Guidance literature:

With sodium iodide; In tetrahydrofuran; for 51.5h; Heating;

DOI:10.1021/jo048430l

Reference yield: 17.0%

methyl 2-methoxy-5-phenyl-furan-3-carboxylate (115852-13-6) → 3-(methoxycarbonyl)-5-phenyl-5-methyl-2(5H)-furanone (67498-41-3)

Guidance literature:

With sodium iodide; In tetrahydrofuran; for 21h; Heating;

DOI:10.1021/jo048430l

Reference yield:

iodomethane-d3 (865-50-9) + methyl 2-methoxy-5-phenyl-furan-3-carboxylate (115852-13-6) → 3-(methoxycarbonyl)-5-phenyl-5-methyl-2(5H)-furanone (67498-41-3) + C13H9(2)H3O4

Guidance literature:

With sodium iodide; In tetrahydrofuran; for 120h; Heating;

DOI:10.1021/jo048430l

upstream raw materials:

iodomethane-d3

methyl 2-methoxy-5-phenyl-furan-3-carboxylate

ethyl iodide

methyl iodide

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