5'-O-Benzoyl-2'-deoxy-5-iodouridine

Base Information

Chemical Name:5'-O-Benzoyl-2'-deoxy-5-iodouridine
CAS No.:84043-31-2
Molecular Formula:C16H15IN2O6
Molecular Weight:458.20500
Hs Code.:
DSSTox Substance ID:DTXSID10516622
Nikkaji Number:J435.576H
Wikidata:Q82378118
Mol file:84043-31-2.mol

Synonyms:84043-31-2;5'-O-Benzoyl-2'-deoxy-5-iodouridine;DTXSID10516622

Suppliers and Price of 5'-O-Benzoyl-2'-deoxy-5-iodouridine

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 4 raw suppliers

Chemical Property of 5'-O-Benzoyl-2'-deoxy-5-iodouridine

Chemical Property:

PSA：110.88000
LogP:1.05890
XLogP3:0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:457.99748
Heavy Atom Count:25
Complexity:589

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)I)COC(=O)C3=CC=CC=C3)O
Isomeric SMILES:C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)COC(=O)C3=CC=CC=C3)O

Technology Process of 5'-O-Benzoyl-2'-deoxy-5-iodouridine

There total 1 articles about 5'-O-Benzoyl-2'-deoxy-5-iodouridine 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: 77.0%

: 54-42-2,162239-35-2
5-Iodo-2'-deoxyuridine

: 98-88-4
benzoyl chloride

: 84043-31-2
5'-O-benzoyl-2'-deoxy-5-iodouridine

Guidance literature:: In pyridine; dichloromethane; at -18 ℃; for 3h;
DOI:10.1021/bc900542f

Reference yield:

: 84043-31-2
5'-O-benzoyl-2'-deoxy-5-iodouridine

: 126862-77-9
3'-O-benzyl-2'-deoxy-5-iodouridine

Guidance literature:: Multi-step reaction with 2 steps

1: 37 percent / triflic acid / CH₂Cl₂; tetrahydrofuran / 0.83 h / Ambient temperature

2: 72 percent / 0.1 N NaOEt / 2 h / Ambient temperature

With trifluorormethanesulfonic acid; sodium ethanolate; In tetrahydrofuran; dichloromethane;
DOI:10.1248/cpb.37.2287

Reference yield:

: 84043-31-2
5'-O-benzoyl-2'-deoxy-5-iodouridine

: 96141-37-6
3'-O-benzyl-2'-deoxy-5-(trifluoromethyl)uridine

Guidance literature:: Multi-step reaction with 3 steps

1: 37 percent / triflic acid / CH₂Cl₂; tetrahydrofuran / 0.83 h / Ambient temperature

2: 72 percent / 0.1 N NaOEt / 2 h / Ambient temperature

3: 1.) pyridine, DMF, copper powder, 4-dimethylaminopyridine / 1.) < -70 to 115 deg C; sealed tube, 2.) 8 h, 60 deg C; sealed tube was opened

With pyridine; dmap; trifluorormethanesulfonic acid; sodium ethanolate; copper; N,N-dimethyl-formamide; In tetrahydrofuran; dichloromethane;
DOI:10.1248/cpb.37.2287