Ivfru

Base Information

Chemical Name:Ivfru
CAS No.:121563-65-3
Molecular Formula:C₁₁H₁₂FIN₂O₅
Molecular Weight:398.13
Hs Code.:
DSSTox Substance ID:DTXSID40153302
Wikidata:Q83020172
ChEMBL ID:CHEMBL1908950
Mol file:121563-65-3.mol

Synonyms:5-(2-iodovinyl)-1-(2'-fluoro-2'-deoxyuridine);5-(2-iodovinyl)-1-(2-deoxy-2-fluoro-D-ribofuranosyl)uracil;IVFRU

Suppliers and Price of Ivfru

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of Ivfru

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：104.81000
Density:2.02g/cm³
LogP:-0.05670
XLogP3:0
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:397.97750
Heavy Atom Count:20
Complexity:483

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)F)C=CI
Isomeric SMILES:C1=C(C(=O)NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F)/C=C/I

Technology Process of Ivfru

There total 2 articles about Ivfru 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: 78.0%

: 178179-62-9
(E)-5-(2-(trimethylsilyl)vinyl)-2'-fluoro-2'-deoxyuridine

: 121563-65-3
(E)-5-(2-iodovinyl)-2'-ribofluoro-2'-deoxyuridine

Guidance literature:: With Iodine monochloride; In acetonitrile; at 25 ℃; for 0.5h;
DOI:10.1021/jm9606406

Reference yield:

: 55612-21-0
1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-iodopyrimidine-2,4(1H,3H)-dione

: 121563-65-3
(E)-5-(2-iodovinyl)-2'-ribofluoro-2'-deoxyuridine

Guidance literature:: Multi-step reaction with 2 steps

1: 80 percent / (Ph₃P)2Pd(II)Cl₂ / tetrahydrofuran / 16 h / 50 °C

2: 78 percent / iodine monochloride / acetonitrile / 0.5 h / 25 °C

With bis-triphenylphosphine-palladium(II) chloride; Iodine monochloride; In tetrahydrofuran; acetonitrile;
DOI:10.1021/jm9606406