1-(4'-Thio-beta-ribofuranosyl)thymine

Base Information

• Chemical Name: 1-(4'-Thio-beta-ribofuranosyl)thymine
• CAS No.: 6741-71-5
• Molecular Formula: C₁₀H₁₄N₂O₅S
• Molecular Weight: 274.298
• DSSTox Substance ID: DTXSID50217762
• Wikidata: Q83094404
• Mol file: 6741-71-5.mol

Synonyms:1-(4'-thio-beta-ribofuranosyl)thymine;1-ribo-4'-thiothymine

Chemical Property of 1-(4'-Thio-beta-ribofuranosyl)thymine

Chemical Property:

• PKA: 9.55±0.10(Predicted)
• PSA: 141.11000
• Density: 1.592±0.06 g/cm3(Predicted)
• LogP: -1.41460
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 274.06234272
• Heavy Atom Count: 18
• Complexity: 413

Purity/Quality:

99.3% ^*data from raw suppliers

5-Methyl-4'-thiouridine ^*data from reagent 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(S2)CO)O)O
• Isomeric SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](S2)CO)O)O

Technology Process of 1-(4'-Thio-beta-ribofuranosyl)thymine

There total 50 articles about 1-(4'-Thio-beta-ribofuranosyl)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: 65.0%

1-(2,3,5-tri-O-benzyl-4-thio-α, β-L-xylofuranosyl) thymine (358359-77-0) → 1-(4-thio-α, β-L-xylofuranosyl)thymine (6741-71-5)

Guidance literature:

With boron trichloride;

DOI:10.1081/NCN-100002420

Reference yield: 47.0%

1-(2,3,5-tri-O-benzyl-4-thio-L-arabino-furanosyl)thimine (208755-45-7) → 1-(4-thio-L-arabino-furanosyl)thymine (6741-71-5)

Guidance literature:

With boron tribromide; In dichloromethane; at -80 ℃; for 2h;

DOI:10.1002/(SICI)1099-0690(199903)1999:3<691::AID-EJOC691>3.0.CO;2-J

Reference yield: 23.0%

1-(2,3,5-tri-O-benzyl-4-thio-L-lyxofuranosyl)thymine → 1-(4-thio-α-L-lyxofuranosyl)thymine (6741-71-5) + 1-(4-thio-β-L-lyxofuranosyl)thymine (6741-71-5)

Guidance literature:

With boron tribromide; In dichloromethane; at -80 ℃;

DOI:10.1081/NCN-100105900

upstream raw materials:

1-((3S,4S,5R)-3,4-Bis-benzyloxy-5-benzyloxymethyl-tetrahydro-thiophen-2-yl)-5-methyl-1H-pyrimidine-2,4-dione

thymin

3-O-benzyl-1-deoxy-4-thio-D-arabino-furanose

1-O-acetyl-2,3,5-tri-O-benzyl-4-thio-D-arabinofuranose

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