5-Fluoro-3-phthalidyl-uracil

Base Information

• Chemical Name: 5-Fluoro-3-phthalidyl-uracil
• CAS No.: 82023-29-8
• Molecular Formula: C₁₂H₇FN₂O₄
• Molecular Weight: 262.197
• DSSTox Substance ID: DTXSID901002393
• ChEMBL ID: CHEMBL282941
• Mol file: 82023-29-8.mol

Synonyms:82023-29-8;5-Fluoro-3-phthalidyl-uracil;3-Pfu;BRN 5586734;Uracil, 5-fluoro-3-phthalidyl-;N(sub 3)-Phthalidyl-5-fluorouracil;3-(1,3-Dihydro-3-oxo-1-isobenzofuranyl)-5-fluoro-2,4(1H,3H)-pyrimidinedione;2,4(1H,3H)-Pyrimidinedione, 3-(1,3-dihydro-3-oxo-1-isobenzofuranyl)-5-fluoro-;5-Fluoro-3-(3-oxo-1,3-dihydroisobenzofuran-1-yl)pyrimidine-2,4(1H,3H)-dione;CHEMBL282941;SCHEMBL11208514;DTXSID901002393;LS-158683;5-Fluoro-2-hydroxy-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)pyrimidin-4(3H)-one

Chemical Property of 5-Fluoro-3-phthalidyl-uracil

Chemical Property:

• PSA: 81.42000
• Density: 1.62g/cm³
• LogP: 0.80530
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 262.03898487
• Heavy Atom Count: 19
• Complexity: 490

Purity/Quality:

2,4(1H,3H)-PYRIMIDINEDIONE, 3-(1,3-DIHYDRO-3-OXO-1-ISOBENZOFURANYL)-5-FLUORO- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(OC2=O)N3C(=O)C(=CNC3=O)F

Technology Process of 5-Fluoro-3-phthalidyl-uracil

There total 8 articles about 5-Fluoro-3-phthalidyl-uracil 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: 97.0%

5-Fluoro-2,4-dioxo-3-(3-oxo-1,3-dihydro-isobenzofuran-1-yl)-3,4-dihydro-2H-pyrimidine-1-carbothioic acid S-octyl ester (90162-91-7) → 3-(1,3-dihydro-3-oxoisobenzofuran-1-yl)-5-fluorouracil (82023-29-8)

Guidance literature:

With isopropylamine; In diethyl ether; for 0.333333h;

Reference yield: 85.0%

3-(1,3-dihydro-3-oxo-isobenzofuran-1-yl)-1-(2,2,2-trichloroethoxycarbonyl)-5-fluorouracil (82033-51-0) → 3-(1,3-dihydro-3-oxoisobenzofuran-1-yl)-5-fluorouracil (82023-29-8)

Guidance literature:

With sodium hydroxide; dihydrogen peroxide; In methanol; dichloromethane; at 0 - 3 ℃; for 1h;

DOI:10.1248/cpb.33.3160

Reference yield: 48.0%

1,3-bis(1,3-dihydro-3-oxoisobenzofuran-1-yl)-5-fluorouracil (82104-77-6) → 3-(1,3-dihydro-3-oxoisobenzofuran-1-yl)-5-fluorouracil (82023-29-8)

Guidance literature:

With ammonium hydroxide; In pyridine; ethanol; at 60 ℃; for 4.5h;

DOI:10.1248/cpb.33.3160

upstream raw materials:

5-Fluoro-2,4-dioxo-3-(3-oxo-1,3-dihydro-isobenzofuran-1-yl)-3,4-dihydro-2H-pyrimidine-1-carboxylic acid methyl ester

3-(1,3-dihydro-3-oxo-isobenzofuran-1-yl)-1-(2,2,2-trichloroethoxycarbonyl)-5-fluorouracil

1,3-bis(1,3-dihydro-3-oxoisobenzofuran-1-yl)-5-fluorouracil

5-Fluoro-2,4-dioxo-3-(3-oxo-1,3-dihydro-isobenzofuran-1-yl)-3,4-dihydro-2H-pyrimidine-1-carbothioic acid S-octyl ester

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