5-Fluoro-2,6-dioxohexahydropyrimidin-4-yl acetate

Base Information

• Chemical Name: 5-Fluoro-2,6-dioxohexahydropyrimidin-4-yl acetate
• CAS No.: 56311-36-5
• Molecular Formula: C6H7FN2O4
• Molecular Weight: 190.131
• DSSTox Substance ID: DTXSID00500939

Synonyms:56311-36-5;SCHEMBL11241509;DTXSID00500939;5-Fluoro-2,6-dioxohexahydropyrimidin-4-yl acetate

Chemical Property of 5-Fluoro-2,6-dioxohexahydropyrimidin-4-yl acetate

Chemical Property:

• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 190.03898487
• Heavy Atom Count: 13
• Complexity: 267

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1C(C(=O)NC(=O)N1)F

Technology Process of 5-Fluoro-2,6-dioxohexahydropyrimidin-4-yl acetate

There total 5 articles about 5-Fluoro-2,6-dioxohexahydropyrimidin-4-yl acetate 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: 10.0%

uracil (66-22-8,144104-68-7,18324-22-6,27072-01-1,2920-92-5,51953-19-6) → 5-fluorouracil (51-21-8) + (+/-)-cis-5-Fluor-6-hydroxy-5,6-dihydrouracil (37103-91-6,93713-25-8,93713-26-9) + (5S,6S)-5-Fluoro-6-hydroxy-dihydro-pyrimidine-2,4-dione (37103-91-6,93713-25-8,93713-26-9) + cis-5-fluoro-6-acetoxy-5,6-dihydrouracil (56311-36-5,100814-55-9,100814-58-2)

Guidance literature:

With acetyl hypofluorite; In water-d2; Yield given. Further byproducts given. Yields of byproduct given;

Reference yield: 10.0%

acetyl hypofluorite (78948-09-1) + uracil (66-22-8,144104-68-7,18324-22-6,27072-01-1,2920-92-5,51953-19-6) → 5-fluorouracil (51-21-8) + cis-5-fluoro-6-acetoxy-5,6-dihydrouracil (56311-36-5,100814-55-9,100814-58-2) + 5,5-difluoro-6-acetoxy-5,6-dihydrouracil (100814-61-7) + trans-5-fluoro-6-acetoxy-5,6-dihydrouracil (56311-36-5,100814-55-9,100814-58-2)

Guidance literature:

In tetradeuterioacetic acid; Yield given. Further byproducts given;

Reference yield: 10.0%

acetyl hypofluorite (78948-09-1) + uracil (66-22-8,144104-68-7,18324-22-6,27072-01-1,2920-92-5,51953-19-6) → 5-fluorouracil (51-21-8) + cis-5-fluoro-6-acetoxy-5,6-dihydrouracil (56311-36-5,100814-55-9,100814-58-2) + 5,5-difluoro-6-acetoxy-5,6-dihydrouracil (100814-61-7) + trans-5-fluoro-6-acetoxy-5,6-dihydrouracil (56311-36-5,100814-55-9,100814-58-2)

Guidance literature:

In tetradeuterioacetic acid; Yield given. Further byproducts given;

upstream raw materials:

acetic acid

uracil

acetyl hypofluorite

Downstream raw materials:

5-fluorouracil

(5R,6S)-5-Fluoro-6-isopropoxy-dihydro-pyrimidine-2,4-dione

(+/-)-cis-5-Fluor-6-methoxy-5,6-dihydrouracil

5-fluoro-6-methoxy-5,6-dihydrouracil

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