1-(3-Pyrazol-1-yl-3-deoxy-beta-D-arabinofuranosyl)thymine

Base Information

Chemical Name:1-(3-Pyrazol-1-yl-3-deoxy-beta-D-arabinofuranosyl)thymine
CAS No.:124379-59-5
Molecular Formula:C₁₃H₁₆N₄O₅
Molecular Weight:308.294
Hs Code.:
DSSTox Substance ID:DTXSID20154296
Nikkaji Number:J273.838D
Wikidata:Q83021459
Mol file:124379-59-5.mol

Synonyms:3'-Pyrazol-arabino-dT;1-(3-Pyrazol-1-yl-3-deoxy-beta-D-arabinofuranosyl)thymine;124379-59-5;DTXSID20154296;1-(3-Pyrazol-1-yl-3-deoxy-.beta.-D-arabinofuranosyl)thymine;1-[3-(1H-Pyrazol-1-yl)-3-deoxy-beta-D-arabinofuranosyl]thymine;1-[(2R,3S,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-pyrazol-1-yl-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione

Suppliers and Price of 1-(3-Pyrazol-1-yl-3-deoxy-beta-D-arabinofuranosyl)thymine

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 1-(3-Pyrazol-1-yl-3-deoxy-beta-D-arabinofuranosyl)thymine

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:1.69g/cm³
XLogP3:-1.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:308.11206962
Heavy Atom Count:22
Complexity:511

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)N3C=CC=N3)O
Isomeric SMILES:CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)N3C=CC=N3)O

Technology Process of 1-(3-Pyrazol-1-yl-3-deoxy-beta-D-arabinofuranosyl)thymine

There total 2 articles about 1-(3-Pyrazol-1-yl-3-deoxy-beta-D-arabinofuranosyl)thymine 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%

: 124355-29-9
1-(5-O-trityl-3-pyrazol-1-yl-3-deoxy-β-D-arabinofuranosyl)thymine

: 124379-59-5
1-(3-pyrazol-1-yl-3-deoxy-β-D-arabinofuranosyl)thymine

Guidance literature:: With acetic acid; In methanol; at 100 ℃; for 1h;
DOI:10.1021/jm00164a063

Reference yield:

: 115913-84-3
1-(2,3-epoxy-5-O-trityl-β-D-lyxo-pentofuranosyl)thymine

: 124379-59-5
1-(3-pyrazol-1-yl-3-deoxy-β-D-arabinofuranosyl)thymine

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) NaH / 1.) DMSO, 1 h, 2.) 110 deg C, 16 h

2: 72 percent / AcOH / methanol / 1 h / 100 °C

With sodium hydride; acetic acid; In methanol;
DOI:10.1021/jm00164a063