Cytidine, 5-[4-(benzoylthio)-1-butynyl]-2'-deoxy-

Base Information

Chemical Name:Cytidine, 5-[4-(benzoylthio)-1-butynyl]-2'-deoxy-
CAS No.:647852-34-4
Molecular Formula:C20H21N3O5S
Molecular Weight:415.46300
Hs Code.:
DSSTox Substance ID:DTXSID10477507
Wikidata:Q82310260

Synonyms:Cytidine, 5-[4-(benzoylthio)-1-butynyl]-2'-deoxy-;647852-34-4;DTXSID10477507

Suppliers and Price of Cytidine, 5-[4-(benzoylthio)-1-butynyl]-2'-deoxy-

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 1 raw suppliers

Chemical Property of Cytidine, 5-[4-(benzoylthio)-1-butynyl]-2'-deoxy-

Chemical Property:

Boiling Point:649.1±65.0 °C(Predicted)
PSA：153.96000
Density:1.42±0.1 g/cm3(Predicted)
LogP:1.12380
XLogP3:1.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:415.12019195
Heavy Atom Count:29
Complexity:763

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(=NC2=O)N)C#CCCSC(=O)C3=CC=CC=C3)CO)O
Isomeric SMILES:C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)C#CCCSC(=O)C3=CC=CC=C3)CO)O

Technology Process of Cytidine, 5-[4-(benzoylthio)-1-butynyl]-2'-deoxy-

There total 2 articles about Cytidine, 5-[4-(benzoylthio)-1-butynyl]-2'-deoxy- 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: 72.0%

: 611-53-0
5-Iodo-2'-deoxycytidine

: 211510-45-1
but-1-yn-4-yl thiobenzoate

: 647852-34-4
5-(4-benzoylthio-1-butynyl)-2'-deoxycytidine

Guidance literature:: With copper(l) iodide; triethylamine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 22 - 24 ℃;
DOI:10.1081/NCN-120022030

Reference yield:

: 98-91-9
thiobenzoic acid

: 647852-34-4
5-(4-benzoylthio-1-butynyl)-2'-deoxycytidine

Guidance literature:: Multi-step reaction with 2 steps

1: 91 percent / diisopropyl azodicarboxylate; triphenylphosphine / tetrahydrofuran / 6 h / 0 - 20 °C

2: 72 percent / Et₃N; CuI / Pd(PPh₃)4 / dimethylformamide / 22 - 24 °C

With copper(l) iodide; di-isopropyl azodicarboxylate; triethylamine; triphenylphosphine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; N,N-dimethyl-formamide; 1: Mitsunobu reaction;
DOI:10.1081/NCN-120022030