O-Methylthymidine

Base Information

• Chemical Name: O-Methylthymidine
• CAS No.: 50591-13-4
• Molecular Formula: C11H17N2O5
• Molecular Weight: 256.258
• Nikkaji Number: J130.795I
• Mol file: 50591-13-4.mol

Synonyms:4-MDOT;O(4)-methyldeoxythymidine;O(4)-methylthymidine;O-methylthymidine;O-methylthymidine, (alpha)-isomer

Chemical Property of O-Methylthymidine

Chemical Property:

• Vapor Pressure: 7.15E-15mmHg at 25°C
• Refractive Index: 1.583
• Boiling Point: 560 °C at 760 mmHg
• Flash Point: 292.5 °C
• PSA: 93.81000
• Density: 1.37 g/cm³
• LogP: -0.79900
• Storage Temp.: ?20°C
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 256.10592162
• Heavy Atom Count: 18
• Complexity: 406

Purity/Quality:

97% ^*data from raw suppliers

4-O-METHYLTHYMIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN(C(=O)N=C1OC)C2CC(C(O2)CO)O
• Isomeric SMILES: CC1=CN(C(=O)N=C1OC)[C@H]2C[C@@H]([C@H](O2)CO)O

Technology Process of O-Methylthymidine

There total 6 articles about O-Methylthymidine 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: 96.0%

3’,5’-di-O-(t-butyldimethylsilyl)-O4-methylthymidine → O4-methyl thymidine (50591-13-4)

Guidance literature:

With tris(dimethylamino)sulfonium difluorotrimethylsilicate; In acetonitrile; at 0 - 20 ℃; for 17h;

DOI:10.1039/C6OB02334G

Reference yield: 75.0%

3',5'-O-di(tert-butyldimethylsilyl)thymidine (40733-26-4) → O4-methyl thymidine (50591-13-4)

Guidance literature:

With 1,8-diaza[5.4.0]undec-7-ene; In 1,4-dioxane; at 50 ℃; for 24h;

DOI:10.1002/recl.19921110207

Reference yield: 60.0%

sodium methylate (124-41-4) + 1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methyl-4-(1H-1,2,4-triazol-1-yl)pyrimidin-2(1H)-one (109389-25-5) → O4-methyl thymidine (50591-13-4)

Guidance literature:

In methanol; at 20 ℃; for 0.25h;

DOI:10.1016/j.ejmech.2014.02.011

upstream raw materials:

3',5'-O-di(tert-butyldimethylsilyl)thymidine

sodium methylate

1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methyl-4-(1H-1,2,4-triazol-1-yl)pyrimidin-2(1H)-one

1-((2R,4S,5R)-4-((tert-butyldimethylsilyl)oxy)-5-(((tertbutyldimethylsilyl)oxy)methyl)tetrahydrofuran-2-yl)-5-methyl-4-(1H-1,2,4-triazol-1-yl)pyrimidin-2(1H)-one

Downstream raw materials:

methanol

thymidine

3′,5′-di-O-trityl-thymidine

Acetic acid (2R,3S,5R)-5-(4-methoxy-5-methyl-2-oxo-2H-pyrimidin-1-yl)-2-(toluene-4-sulfonyloxymethyl)-tetrahydro-furan-3-yl ester

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