1,6-Dimethyluracil

Base Information

• Chemical Name: 1,6-Dimethyluracil
• CAS No.: 1627-27-6
• Molecular Formula: C6H8N2O2
• Molecular Weight: 140.142
• DSSTox Substance ID: DTXSID40442329
• Nikkaji Number: J980.821C
• Wikidata: Q82259544
• Mol file: 1627-27-6.mol

Synonyms:1,6-dimethyluracil;1627-27-6;1,6-Dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione;1,6-dimethylpyrimidine-2,4(1H,3H)-dione;1,6-dimethylpyrimidine-2,4-dione;SCHEMBL6027678;DTXSID40442329;OCUWGDBSGJMUNG-UHFFFAOYSA-N;BAA62727;BS-47119;F76955;EN300-7107722

Chemical Property of 1,6-Dimethyluracil

Chemical Property:

• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 140.058577502
• Heavy Atom Count: 10
• Complexity: 220

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)NC(=O)N1C

Technology Process of 1,6-Dimethyluracil

There total 19 articles about 1,6-Dimethyluracil 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: 18.0%

4-methyleneoxetan-2-one (674-82-8,2130-41-8) + N-Methylurea (598-50-5) → 1,6-dimethylpyrimidine-2,4(1H,3H)-dione (1627-27-6)

Guidance literature:

at 100 ℃; for 18h; Inert atmosphere;

Reference yield:

6-Methyluracil (626-48-2) + methyl iodide (74-88-4) → 1,6-dimethylpyrimidine-2,4(1H,3H)-dione (1627-27-6) + 3,6-dimethyluracil (19674-60-3) + 1,3,6-trimethyluracil (13509-52-9)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; for 15h;

Reference yield:

1,6-dimethyl-2-(methylsulfanyl)pyrimidin-4(1H)-one (54069-33-9) → 1,6-dimethylpyrimidine-2,4(1H,3H)-dione (1627-27-6)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

4-methyleneoxetan-2-one

1-(methyl)-thiourea

6-Methyluracil

dimethyl sulfate

Downstream raw materials:

1,3,6-trimethyluracil

1,3-dimethylorotic acid

3-butyl-5-dimethylamino-1,6-dimethyl-1H-pyrimidine-2,4-dione

Refernces

• 1、 -. "SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF". Paragraph 0617-0618. . Retrieved 2015/02/25.
• 2、 Erkin,Krutikov. "Polyfunctional derivatives of isocytosine. Effect of hydration on prototropic tautomerism of 2-(2-hydroxyethyl)amino-6-methylpyrimidin-4(3H)-one". . p. 639 - 644. Retrieved 2008/02/01.