4(3H)-Pyrimidinone, 3,6-dimethyl-2-(methylthio)-

Base Information

• Chemical Name: 4(3H)-Pyrimidinone, 3,6-dimethyl-2-(methylthio)-
• CAS No.: 3240-60-6
• Molecular Formula: C7H10N2OS
• DSSTox Substance ID: DTXSID60485430
• Nikkaji Number: J1.413.223F
• Wikidata: Q82324611
• Mol file: 3240-60-6.mol

Synonyms:3240-60-6;3,6-dimethyl-2-(methylthio)pyrimidin-4(3H)-one;4(3H)-Pyrimidinone, 3,6-dimethyl-2-(methylthio)-;MLS004491832;SCHEMBL18689571;DTXSID60485430;SMR003288778;3,6-dimethyl-2-(methylsulfanyl)pyrimidin-4(3h)-one

Chemical Property of 4(3H)-Pyrimidinone, 3,6-dimethyl-2-(methylthio)-

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 170.05138412
• Heavy Atom Count: 11
• Complexity: 245

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)N(C(=N1)SC)C

Technology Process of 4(3H)-Pyrimidinone, 3,6-dimethyl-2-(methylthio)-

There total 2 articles about 4(3H)-Pyrimidinone, 3,6-dimethyl-2-(methylthio)- 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: 41.0%

6-methyl-2-thiouracil (56-04-2,91795-77-6) + dimethyl sulfate (77-78-1) → 3,6-dimethyl-2-(methylthio)-4(3H)-pyrimidinone (3240-60-6) + 1,6-dimethyl-2-(methylsulfanyl)pyrimidin-4(1H)-one (54069-33-9)

Guidance literature:

With sodium hydroxide; In water; at 70 ℃; for 2h;

DOI:10.1007/s11176-005-0287-x

Reference yield: 32.0%

6-methyl-2-thiouracil (56-04-2,91795-77-6) + methyl iodide (74-88-4) → 3,6-dimethyl-2-(methylthio)-4(3H)-pyrimidinone (3240-60-6) + 1,6-dimethyl-2-(methylsulfanyl)pyrimidin-4(1H)-one (54069-33-9)

Guidance literature:

6-methyl-2-thiouracil; With potassium hydroxide; In acetone; for 0.25h; Inert atmosphere;

methyl iodide; In acetone; for 1h; Inert atmosphere;

DOI:10.1002/chem.200902145

Reference yield:

3,6-dimethyl-2-(methylthio)-4(3H)-pyrimidinone (3240-60-6) → 1.3.6-Trimethyl-4-oxo-1H.4H-pyrimidinium-iodid (14027-64-6)

Guidance literature:

Multi-step reaction with 2 steps

1: Raney nickel; methanol

With methanol; nickel;

DOI:10.1039/jr9550001850

upstream raw materials:

6-methyl-2-thiouracil

dimethyl sulfate

methyl iodide

Downstream raw materials:

3,6-dimethyluracil

1.3.6-Trimethyl-4-oxo-1H.4H-pyrimidinium-iodid