O-4-Methylthymine

Base Information

• Chemical Name: O-4-Methylthymine
• CAS No.: 25902-89-0
• Molecular Formula: C6H8N2O2
• Molecular Weight: 140.142
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID30180566
• Nikkaji Number: J500.516G
• Wikidata: Q83051124
• Mol file: 25902-89-0.mol

Synonyms:O-4-methylthymine

Chemical Property of O-4-Methylthymine

Chemical Property:

• Melting Point: 182-183 °C(Solv: methanol (67-56-1))
• Refractive Index: 1.549
• PKA: 7.79±0.10(Predicted)
• PSA: 54.98000
• Density: 1.25 g/cm³
• LogP: 0.08690
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 140.058577502
• Heavy Atom Count: 10
• Complexity: 218

Purity/Quality:

99% ^*data from raw suppliers

4-METHOXY-5-METHYL-2(1H)-PYRIMIDINONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(NC(=O)N=C1)OC

Technology Process of O-4-Methylthymine

There total 4 articles about O-4-Methylthymine 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:

5-methyl-4-(1,2,4-triazol-1-yl)-pyrimidin-2-(1H)-one (144782-14-9) → 4-methoxy-5-methyl-pyrimidin-2(1H)-one (25902-89-0)

Guidance literature:

With sodium methylate; In methanol; ethyl acetate;

Reference yield:

2-ethylsulfanyl-4-methoxy-5-methyl-pyrimidine (7122-99-8) → 4-methoxy-5-methyl-pyrimidin-2(1H)-one (25902-89-0)

Guidance literature:

With dihydrogen peroxide;

Reference yield:

4-chloro-2-ethylsulfanyl-5-methyl-pyrimidine (13480-96-1) → 4-methoxy-5-methyl-pyrimidin-2(1H)-one (25902-89-0)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol

2: H₂O₂

With methanol; dihydrogen peroxide;

upstream raw materials:

2-ethylsulfanyl-4-methoxy-5-methyl-pyrimidine

4-chloro-2-ethylsulfanyl-5-methyl-pyrimidine

5-methyl-4-(1,2,4-triazol-1-yl)-pyrimidin-2-(1H)-one

Downstream raw materials:

1-(3-benzoyloxy-2-fluoropropyl)-4-methoxy-5-methyl-2-pyrimidone

5-methylcytosin

2-ethoxy-4-methoxy-5-methylpyrimidine

1-ethyl-5-methyl-2,4(3H)-pyrimidindione

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