3-Ethylthymine

Base Information

• Chemical Name: 3-Ethylthymine
• CAS No.: 21473-20-1
• Molecular Formula: C₇H₁₀N₂O₂
• Molecular Weight: 154.169
• DSSTox Substance ID: DTXSID00873615
• Nikkaji Number: J1.180.924C
• Wikidata: Q81981159
• Mol file: 21473-20-1.mol

Synonyms:3-ethylthymine;3-Ethyl-thymine;3-Ethyl-5-methyluracil;SCHEMBL8876920;DTXSID00873615;21473-20-1

Chemical Property of 3-Ethylthymine

Chemical Property:

• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 154.074227566
• Heavy Atom Count: 11
• Complexity: 233

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCN1C(=O)C(=CNC1=O)C

Technology Process of 3-Ethylthymine

There total 1 articles about 3-Ethylthymine 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: 3.2%

diethyl sulfate (64-67-5) + thymin (65-71-4,28806-14-6,691841-57-3) → 1-ethyl-5-methyl-2,4(3H)-pyrimidindione (21472-94-6) + 2,4-diethoxy-5-methylpyrimidine (7193-87-5) + 4-ethoxy-1-ethyl-5-methyl-2(1H)-pyrimidinone (856152-84-6) + 3-ethyl-5-methyl-2,4(1H)-pyrimidinedione (21473-20-1)

Guidance literature:

thymin; With potassium hydride; In N,N-dimethyl-formamide; at 60 ℃; for 0.5h;

diethyl sulfate; In N,N-dimethyl-formamide; at 60 ℃; for 48h; Further byproducts given;

DOI:10.1016/j.tet.2006.04.098

Reference yield: 89.0%

benzyl tosylate (1024-41-5) + 3-ethyl-5-methyl-2,4(1H)-pyrimidinedione (21473-20-1) → 1-benzyl-3-ethyl-5-methyl-2,4-pyrimidinedione

Guidance literature:

With lithium hydride; In 1,4-dioxane; at 60 ℃; for 10h;

DOI:10.1016/S0040-4020(99)00736-X

upstream raw materials:

diethyl sulfate

thymin

Refernces