1-(3-O-acetyl-5-O-benzoyl-2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-chlorocytosine

Base Information

• Chemical Name: 1-(3-O-acetyl-5-O-benzoyl-2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-chlorocytosine
• CAS No.: 69124-00-1
• Molecular Formula: C₁₈H₁₇ClFN₃O₆
• Molecular Weight: 425.801
• DSSTox Substance ID: DTXSID101113942
• Wikidata: Q107942082

Synonyms:SCHEMBL10889243;RHYNQIVFSMCOPW-HLPPOEQASA-N;DTXSID101113942;1-(3-O-acetyl-5-O-benzoyl-2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-chlorocytosine;1-(3-O-Acetyl-5-O-benzoyl-2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-4-amino-5-chloro-2(1H)-pyrimidinone;69124-00-1

Chemical Property of 1-(3-O-acetyl-5-O-benzoyl-2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-chlorocytosine

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 425.0789911
• Heavy Atom Count: 29
• Complexity: 739

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OC1C(OC(C1F)N2C=C(C(=NC2=O)N)Cl)COC(=O)C3=CC=CC=C3
• Isomeric SMILES: CC(=O)O[C@@H]1[C@H](O[C@H]([C@H]1F)N2C=C(C(=NC2=O)N)Cl)COC(=O)C3=CC=CC=C3

Technology Process of 1-(3-O-acetyl-5-O-benzoyl-2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-chlorocytosine

There total 2 articles about 1-(3-O-acetyl-5-O-benzoyl-2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-chlorocytosine 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:

1,3-di-O-acetyl-5-O-benzoyl-2-deoxy-2-fluoro-D-arabinofuranosyl bromide (56632-81-6) + 5-chloro-cytosine (2347-43-5) → 1-(O3-acetyl-O5-benzoyl-2-fluoro-β-D-2-deoxy-arabinofuranosyl)-4-amino-5-chloro-1H-pyrimidin-2-one (69124-00-1)

Guidance literature:

With ammonium sulfate; In methanol; dichloromethane; 1,1,1,3,3,3-hexamethyl-disilazane;

Reference yield:

→ 1-(O3-acetyl-O5-benzoyl-2-fluoro-β-D-2-deoxy-arabinofuranosyl)-4-amino-5-chloro-1H-pyrimidin-2-one (69124-00-1)

Guidance literature:

3-O-Acetyl-5-O-benzoyl-2-deoxy-2-fluor-β-D-1-brom-arabinose, 5-Chlortris(trimethylsilyl)cytosin;

DOI:10.1021/jm00187a005

upstream raw materials:

1,3-di-O-acetyl-5-O-benzoyl-2-deoxy-2-fluoro-D-arabinofuranosyl bromide

5-chloro-cytosine

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