5-Fluoro-1-[(3-hydroxytetrahydrofuran)-2-yl]uracil

Base Information

• Chemical Name: 5-Fluoro-1-[(3-hydroxytetrahydrofuran)-2-yl]uracil
• CAS No.: 66067-14-9
• Molecular Formula: C₈H₉FN₂O₄
• Molecular Weight: 216.169
• DSSTox Substance ID: DTXSID601155535
• Nikkaji Number: J928.760D

Synonyms:C8H9FN2O4;C8-H9-F-N2-O4;DTXSID601155535;66067-14-9;5-Fluoro-1-[(3-hydroxytetrahydrofuran)-2-yl]uracil;5-Fluoro-1-(tetrahydro-3-hydroxy-2-furanyl)-2,4(1H,3H)-pyrimidinedione

Chemical Property of 5-Fluoro-1-[(3-hydroxytetrahydrofuran)-2-yl]uracil

Chemical Property:

• XLogP3: -1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 216.05463493
• Heavy Atom Count: 15
• Complexity: 344

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC(C1O)N2C=C(C(=O)NC2=O)F

Technology Process of 5-Fluoro-1-[(3-hydroxytetrahydrofuran)-2-yl]uracil

There total 2 articles about 5-Fluoro-1-[(3-hydroxytetrahydrofuran)-2-yl]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:

tegafur (17902-23-7,65732-47-0,79107-97-4) → 5-fluorouracil (51-21-8) + 1-(4,5-dehydrotetrahydro-2-furanyl)-5-fluorouracil (68723-23-9) + cis-1-<4-hydroxytetrahydro-2-furyl>-5-fluorouracil (66067-15-0,71145-52-3,71145-53-4,74282-26-1,81339-31-3,81339-32-4) + 1-(trans-3-hydroxytetrahydro-2-furanyl)-5-fluorouracil (66067-14-9,71145-47-6,71145-48-7,74282-27-2,77647-32-6) + 1-(trans-4-hydroxytetrahydro-2-furanyl)-5-fluorouracil (66067-15-0,71145-52-3,71145-53-4,74282-26-1,81339-31-3,81339-32-4)

Guidance literature:

Product distribution; biotransformation with rat liver microsomes;

DOI:10.1248/cpb.28.1795

Reference yield:

tegafur (17902-23-7,65732-47-0,79107-97-4) → 1-(4,5-dehydrotetrahydro-2-furanyl)-5-fluorouracil (68723-23-9) + cis-1-<4-hydroxytetrahydro-2-furyl>-5-fluorouracil (66067-15-0,71145-52-3,71145-53-4,74282-26-1,81339-31-3,81339-32-4) + 1-(trans-3-hydroxytetrahydro-2-furanyl)-5-fluorouracil (66067-14-9,71145-47-6,71145-48-7,74282-27-2,77647-32-6) + 1-(trans-4-hydroxytetrahydro-2-furanyl)-5-fluorouracil (66067-15-0,71145-52-3,71145-53-4,74282-26-1,81339-31-3,81339-32-4)

Guidance literature:

With ethylenediaminetetraacetic acid; D-glucose 6-phosphate; potassium chloride; nicotinamide adenine dinucleotide phosphate; magnesium sulfate; glucose 6-phosphate dehydrogenase; Yield given. Further byproducts given. Yields of byproduct given; biotransformation with rat liver microsomes;

DOI:10.1248/cpb.28.1795

upstream raw materials:

tegafur

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