1H,3H-Difuro(3,4-b:3',4'-e)pyridine-1,7(4H)-dione, 5,8-dihydro-8-(2-(trifluoromethyl)phenyl)-

Base Information

• Chemical Name: 1H,3H-Difuro(3,4-b:3',4'-e)pyridine-1,7(4H)-dione, 5,8-dihydro-8-(2-(trifluoromethyl)phenyl)-
• CAS No.: 120260-20-0
• Molecular Formula: C16H10 F3 N O4
• Molecular Weight: 337.2501
• DSSTox Substance ID: DTXSID80152778
• Nikkaji Number: J431.290B
• Wikidata: Q83019514

Synonyms:BRN 3568534;1H,3H-Difuro(3,4-b:3',4'-e)pyridine-1,7(4H)-dione, 5,8-dihydro-8-(2-(trifluoromethyl)phenyl)-;120260-20-0;SCHEMBL7102178;C16H10F3NO4;DTXSID80152778;C16-H10-F3-N-O4;LS-61923;8-[2-(Trifluoromethyl)phenyl]-4,8-dihydro-1H,3H-difuro[3,4-b:3',4'-e]pyridine-1,7(5H)-dione

Chemical Property of 1H,3H-Difuro(3,4-b:3',4'-e)pyridine-1,7(4H)-dione, 5,8-dihydro-8-(2-(trifluoromethyl)phenyl)-

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 337.05619229
• Heavy Atom Count: 24
• Complexity: 639

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=C(C(C3=C(N2)COC3=O)C4=CC=CC=C4C(F)(F)F)C(=O)O1

Technology Process of 1H,3H-Difuro(3,4-b:3',4'-e)pyridine-1,7(4H)-dione, 5,8-dihydro-8-(2-(trifluoromethyl)phenyl)-

There total 5 articles about 1H,3H-Difuro(3,4-b:3',4'-e)pyridine-1,7(4H)-dione, 5,8-dihydro-8-(2-(trifluoromethyl)phenyl)- 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: 80.0%

Fossheim (53219-40-2) → 1,3,4,5,7,8-Hexahydro-8-<2-(trifluormethyl)phenyl>-difuro<3,4-b:3',4'-e>pyridin-1,7-dion (120260-20-0)

Guidance literature:

With N-Bromosuccinimide; In chloroform; 1.) 1 h, 2.) reflux, 1 h;

DOI:10.1007/BF00764462

Reference yield: 38.0%

Fossheim (53219-40-2) → 1,3,4,5,7,8-Hexahydro-8-<2-(trifluormethyl)phenyl>-difuro<3,4-b:3',4'-e>pyridin-1,7-dion (120260-20-0) + (R,S)-1,4,5,7-Tetrahydro-2-methyl-5-oxo-4-<2-(trifluormethyl)phenyl>furo<3,4-b>pyridin-3-carbonsaeuremethylester (85825-31-6) + (R,S)-2-Dibromomethyl-1,4,5,7-tetrahydro-5-oxo-4-<2-(trifluoromethyl)phenyl>-furo-<3,4-b>pyridin-3-carbonsaeuremethylester (138500-93-3)

Guidance literature:

With pyridine; pyridinium hydrobromide perbromide; In chloroform; Yields of byproduct given; 1) 0 deg C, 2 h, 2) 90 min, reflux;

DOI:10.1002/ardp.2503241111

Reference yield: 37.0%

1,3,5,7-Tetrahydro-8-<2-(trifluormethyl)phenyl>-difuro<3,4-b:3',4'-e>pyridin-1,7-dion (138486-20-1) → 1,3,4,5,7,8-Hexahydro-8-<2-(trifluormethyl)phenyl>-difuro<3,4-b:3',4'-e>pyridin-1,7-dion (120260-20-0)

Guidance literature:

In acetonitrile; buffer pH 7.0 R DAB 9, Hg-electrode, electrolysis;

DOI:10.1002/ardp.2503241111

upstream raw materials:

Fossheim

1,3,5,7-Tetrahydro-8-<2-(trifluormethyl)phenyl>-difuro<3,4-b:3',4'-e>pyridin-1,7-dion

Downstream raw materials:

1,3,5,7-Tetrahydro-8-<2-(trifluormethyl)phenyl>-difuro<3,4-b:3',4'-e>pyridin-1,7-dion

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