6-Ethyl-1,3-dimethylpyrimidine-2,4(1H,3H)-dione

Base Information

• Chemical Name: 6-Ethyl-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
• CAS No.: 49786-02-9
• Molecular Formula: C8H12N2O2
• DSSTox Substance ID: DTXSID50513857
• Nikkaji Number: J645.145D

Synonyms:1,3-dimethyl-6-ethyluracil;49786-02-9;6-Ethyl-1,3-dimethylpyrimidine-2,4(1H,3H)-dione;SCHEMBL23710639;DTXSID50513857

Chemical Property of 6-Ethyl-1,3-dimethylpyrimidine-2,4(1H,3H)-dione

Chemical Property:

• Vapor Pressure: 0.037mmHg at 25°C
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 168.089877630
• Heavy Atom Count: 12
• Complexity: 258

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=O)N(C(=O)N1C)C

Technology Process of 6-Ethyl-1,3-dimethylpyrimidine-2,4(1H,3H)-dione

There total 4 articles about 6-Ethyl-1,3-dimethylpyrimidine-2,4(1H,3H)-dione 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: 90.0%

6-cyano-1,3-dimethyluracil (49846-86-8) + ethylmagnesium bromide (925-90-6) → 1,3-dimethyl-6-ethyluracil (49786-02-9)

Guidance literature:

With zinc(II) chloride; In tetrahydrofuran; diethyl ether; at 0 - 20 ℃; for 3h; Temperature; Time; Solvent; Concentration; Reagent/catalyst;

DOI:10.1021/jo400364p

Reference yield: 26.0%

8-chloro-4,6-dimethyl-4,6-diazaspiro<2.5>octa-5,7-dione (82959-65-7) → 4,6-Dimethyl-4,6-diaza-spiro[2.5]octane-5,7-dione (82959-64-6) + 1,3-dimethyl-6-ethyluracil (49786-02-9)

Guidance literature:

With zinc; In acetic acid; for 1h; Heating;

DOI:10.1016/S0040-4039(00)87398-0

Reference yield:

1,3,6-trimethyluracil (13509-52-9) + methyl iodide (74-88-4) → 1,3-dimethyl-6-ethyluracil (49786-02-9)

Guidance literature:

With lithium diisopropyl amide; Yield given. Multistep reaction; 1.) THF, -40 deg C;

DOI:10.1016/S0040-4039(00)60035-7

upstream raw materials:

1,3,6-trimethyluracil

methyl iodide

8-chloro-4,6-dimethyl-4,6-diazaspiro<2.5>octa-5,7-dione

6-cyano-1,3-dimethyluracil

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