1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one

Base Information

• Chemical Name: 1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
• CAS No.: 22003-31-2
• Molecular Formula: C₁₀H₁₄N₂O₄
• Molecular Weight: 226.232
• DSSTox Substance ID: DTXSID30944605
• Wikidata: Q82921847
• Mol file: 22003-31-2.mol

Synonyms:5-methyl-2-pyrimidinone-1-(2'deoxyriboside);5-MPDR

Chemical Property of 1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one

Chemical Property:

• Vapor Pressure: 6.72E-10mmHg at 25°C
• Boiling Point: 447.8°Cat760mmHg
• Flash Point: 224.6°C
• PSA: 84.58000
• Density: 1.51g/cm³
• LogP: -0.80760
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 226.09535693
• Heavy Atom Count: 16
• Complexity: 353

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN(C(=O)N=C1)C2CC(C(O2)CO)O
• Isomeric SMILES: CC1=CN(C(=O)N=C1)[C@@H]2C[C@@H]([C@H](O2)CO)O

Technology Process of 1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one

There total 13 articles about 1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one 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: 100.0%

C22H40N2O5Si2 → N1-(β-D-2'-deoxyribosyl)-5-methylpyrimidin-2-one (22003-31-2,129463-65-6)

Guidance literature:

With triethylamine tris(hydrogen fluoride); In tetrahydrofuran; at 20 ℃; for 4h; Inert atmosphere;

DOI:10.1002/anie.201302176

Reference yield: 100.0%

3',5'-bis(O-tert-butyldimethylsilyl)-N1-(β-D-2'-deoxyribosyl)-5-methyl-pyrimidin-2-one (883868-32-4) → N1-(β-D-2'-deoxyribosyl)-5-methylpyrimidin-2-one (22003-31-2,129463-65-6)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; for 0.333333h;

DOI:10.1002/ejoc.200500532

Reference yield: 81.0%

3',5'-O-bis(triethylsilyl)-N1-(β-D-2'-deoxyribosyl)-5-methylpyrimidin-2-one (385843-34-5) → N1-(β-D-2'-deoxyribosyl)-5-methylpyrimidin-2-one (22003-31-2,129463-65-6)

Guidance literature:

With acetic acid; In tetrahydrofuran; at 20 ℃; for 6h;

DOI:10.1021/ol0167863

upstream raw materials:

3',5'-O-bis(triethylsilyl)-N¹-(β-D-2'-deoxyribosyl)-5-methylpyrimidin-2-one

3',5'-bis(O-tert-butyldimethylsilyl)-N¹-(β-D-2'-deoxyribosyl)-5-methyl-pyrimidin-2-one

1-[4-(tert-butyl-dimethyl-silanyloxy)-5-(tert-butyl-dimethyl-silanyloxymethyl)-tetrahydro-furan-2-yl]-4-hydrazino-5-methyl-1H-pyrimidin-2-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:

1-[5-O-(4,4'-dimethoxytrityl)-3-O-levulinyl-2-deoxy-β-D-ribofuranosyl]-5-methyl-2-pyrimidinone

C₄₉H₅₄N₅O₁₅P

5'-O-(4,4'-dimethoxytrityl)-N¹-(β-D-2'-deoxyribosyl)-5-methylpyrimidin-2-one

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