5-Fluorouracil-6-d1

Base Information

• Chemical Name: 5-Fluorouracil-6-d1
• CAS No.: 90344-84-6
• Molecular Formula: C₄H₃FN₂O₂
• Molecular Weight: 131.07
• DSSTox Substance ID: DTXSID30575933
• Wikidata: Q82465404
• Mol file: 90344-84-6.mol

Synonyms:5-Fluorouracil-6-d1;90344-84-6;6-deuterio-5-fluoro-1H-pyrimidine-2,4-dione;5-Fluorouracil-d1;5-fluoro-1,2,3,4-tetrahydro(6-?H)pyrimidine-2,4-dione;2,4-Dihydroxy-5-fluoropyrimidine-d1;5-Fluoro(6-~2~H)pyrimidine-2,4(1H,3H)-dione;SCHEMBL12904036;DTXSID30575933;HY-90006S;CS-0203034

Chemical Property of 5-Fluorouracil-6-d1

Chemical Property:

• Melting Point: 262-266°C
• PSA: 66.24000
• Density: 1.55g/cm³
• LogP: 0.02690
• Storage Temp.: Refrigerator
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 131.02413225
• Heavy Atom Count: 9
• Complexity: 199

Purity/Quality:

97% ^*data from raw suppliers

5-Fluorouracil-6-d1 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=O)NC(=O)N1)F
• Isomeric SMILES: [2H]C1=C(C(=O)NC(=O)N1)F
• Uses: Labelled 5-FU, 5-Fluorouracil-6-d1 can be used as a potent antineoplastic agent in clinical use. Also an inhibitor of DNA synthesis.

Technology Process of 5-Fluorouracil-6-d1

There total 1 articles about 5-Fluorouracil-6-d1 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: 66.0%

5-fluorouracil (51-21-8) → 6-deuterio-5-fluorouracil (90344-84-6)

Guidance literature:

With deuteriated sodium hydroxide; In water-d2; at 60 ℃; for 6h;

DOI:10.1021/jo00189a018

upstream raw materials:

5-fluorouracil