1-(2-Deoxypentofuranuronosyl)-5-fluoropyrimidine-2,4(1h,3h)-dione

Base Information

• Chemical Name: 1-(2-Deoxypentofuranuronosyl)-5-fluoropyrimidine-2,4(1h,3h)-dione
• CAS No.: 20105-69-5
• Molecular Formula: C9H9 F N2 O6
• Molecular Weight: 260.176
• NSC Number: 200693,103704
• DSSTox Substance ID: DTXSID80295654
• ChEMBL ID: CHEMBL1994571
• Mol file: 20105-69-5.mol

Synonyms:20105-69-5;FUDA;1-(2-deoxypentofuranuronosyl)-5-fluoropyrimidine-2,4(1h,3h)-dione;NCIOpen2_007248;CHEMBL1994571;SCHEMBL11560994;DTXSID80295654;NSC103704;NSC200693;NSC-103704;NSC-200693;NCI60_000089

Chemical Property of 1-(2-Deoxypentofuranuronosyl)-5-fluoropyrimidine-2,4(1h,3h)-dione

Chemical Property:

• Density: 1.76g/cm³
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 260.04446417
• Heavy Atom Count: 18
• Complexity: 450

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)F)C(=O)O)O

Technology Process of 1-(2-Deoxypentofuranuronosyl)-5-fluoropyrimidine-2,4(1h,3h)-dione

There total 3 articles about 1-(2-Deoxypentofuranuronosyl)-5-fluoropyrimidine-2,4(1h,3h)-dione 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-Fluoro-2'-deoxyuridine (50-91-9) → 5-Fluoro-2'-desoxyuridine-5'-carboxylic acid (20105-69-5)

Guidance literature:

With oxygen; sodium hydrogencarbonate; platinum(IV) oxide; In water; at 60 - 70 ℃; for 25h;

DOI:10.1021/jm00063a007

Reference yield:

→ 5-Fluoro-2'-desoxyuridine-5'-carboxylic acid (20105-69-5)

Guidance literature:

entspr. 2'-Deoxy-5-fluoruridin 1, O2;

Reference yield:

→ 5-Fluor-2',5'-didesoxy-uridin-5'-saeure (20105-69-5,55774-29-3,65732-44-7,68964-06-7)

Guidance literature:

5-Fluor-2'-desoxy-uridin, O2, Platinschwarz;

DOI:10.1021/jm00301a048

upstream raw materials:

5-Fluoro-2'-deoxyuridine

Downstream raw materials:

ethyl 4-<1,2-dideoxy-1β-(5-fluoro-1,2,3,4-tetrahydro-2,4-dioxopyrimidin-1-yl)-D-ribofuranuronamido>benzoate

1-(2,3-dihydro-furan-2-yl)-5-fluoro-1H-pyrimidine-2,4-dione