5-Iodo-4-methoxy-2-(methylthio)-6-methylpyrimidine

Base Information

• Chemical Name: 5-Iodo-4-methoxy-2-(methylthio)-6-methylpyrimidine
• CAS No.: 107166-95-0
• Molecular Formula: C₇H₉IN₂OS
• Molecular Weight: 296.132
• European Community (EC) Number: 802-491-4
• DSSTox Substance ID: DTXSID501230108
• Nikkaji Number: J398.317J
• Mol file: 107166-95-0.mol

Synonyms:107166-95-0;5-Iodo-4-methoxy-6-methyl-2-(methylthio)pyrimidine;5-Iodo-4-methoxy-2-(methylthio)-6-methylpyrimidine;5-iodo-4-methoxy-6-methyl-2-methylsulfanylpyrimidine;5-IODO-4-METHOXY-6-METHYL-2-(METHYLSULFANYL)PYRIMIDINE;Pyrimidine, 5-iodo-4-methoxy-6-methyl-2-(methylthio)-;DTXSID501230108;MFCD26960810;WS-02541;E71892;5-Iodo-4-methoxy-6-methyl-2-(methylthio)pyrimidine, 95%

Chemical Property of 5-Iodo-4-methoxy-2-(methylthio)-6-methylpyrimidine

Chemical Property:

• Melting Point: 75-85°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 295.94803
• Heavy Atom Count: 12
• Complexity: 149

Purity/Quality:

5-Iodo-4-methoxy-6-methyl-2-(methylthio)pyrimidine 95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=NC(=N1)SC)OC)I

Technology Process of 5-Iodo-4-methoxy-2-(methylthio)-6-methylpyrimidine

There total 2 articles about 5-Iodo-4-methoxy-2-(methylthio)-6-methylpyrimidine 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:

4-Hydroxy-6-methyl-2-methylthiopyrimidine (6328-58-1) → 5-Iodo-4-methoxy-6-methyl-2-methylthiopyrimidine (107166-95-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 83 percent / N-iodosuccinimide / CHCl₃ / 1 h / 70 °C

2: 1.) POCl₃, 2.) NaOCH₃

With N-iodo-succinimide; sodium methylate; trichlorophosphate; In chloroform;

DOI:10.1055/s-1988-27703

Reference yield:

methanol (67-56-1) + 5-Iodo-4-hydroxy-6-methyl-2-methylthiopyrimidine (76510-64-0) → 5-Iodo-4-methoxy-6-methyl-2-methylthiopyrimidine (107166-95-0)

Guidance literature:

With sodium methylate; trichlorophosphate; Yield given. Multistep reaction;

DOI:10.1055/s-1988-27703

Reference yield: 43.0%

5-Iodo-4-methoxy-6-methyl-2-methylthiopyrimidine (107166-95-0) + Phenyl vinyl ketone (768-03-6,26742-84-7) → 4-Methoxy-6-methyl-2-methylthio-5-(3-oxo-3-phenylpropyl)pyrimidine (134039-51-3)

Guidance literature:

With triethylamine; palladium diacetate; triphenylphosphine; at 120 ℃; for 2h; sealed tube;

upstream raw materials:

methanol

5-Iodo-4-hydroxy-6-methyl-2-methylthiopyrimidine

4-Hydroxy-6-methyl-2-methylthiopyrimidine

Downstream raw materials:

4-Methoxy-6-methyl-2-methylthio-5-(3-oxo-3-phenylpropyl)pyrimidine