4-Methyl-6-(methylthio)pyrimidine

Base Information

• Chemical Name: 4-Methyl-6-(methylthio)pyrimidine
• CAS No.: 62671-89-0
• Molecular Formula: C₆H₈N₂S
• Molecular Weight: 140.209
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID70362809
• Wikidata: Q82146243
• Mol file: 62671-89-0.mol

Synonyms:62671-89-0;4-methyl-6-methylsulfanylpyrimidine;4-methyl-6-(methylthio)pyrimidine;Pyrimidine, 4-methyl-6-(methylthio)-;4-Methyl-6-(methylsulfanyl)pyrimidine;SCHEMBL6844984;DTXSID70362809;CS-0045957;A937596

Chemical Property of 4-Methyl-6-(methylthio)pyrimidine

Chemical Property:

• Melting Point: 25-28 °C
• Boiling Point: 104 °C(Press: 17 Torr)
• PKA: 3.22±0.17(Predicted)
• PSA: 51.08000
• Density: 1.14±0.1 g/cm3(Predicted)
• LogP: 1.50690
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 140.04081944
• Heavy Atom Count: 9
• Complexity: 87.1

Purity/Quality:

99% ^*data from raw suppliers

4-Methyl-6-methylsulfanylpyrimidine 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC=N1)SC

Technology Process of 4-Methyl-6-(methylthio)pyrimidine

There total 1 articles about 4-Methyl-6-(methylthio)pyrimidine 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-methyl-6-chloropyrimidine (3435-25-4) + sodium thiomethoxide (5188-07-8) → 4-thiomethyl-6-methylpyrimidine (62671-89-0)

Guidance literature:

With sodium hydroxide;

DOI:10.1039/jr9510001004

Reference yield:

4-thiomethyl-6-methylpyrimidine (62671-89-0) + methyl 4-flurobenzoate (403-33-8) + 2-amino-4-hydroxymethylpyridine (105250-17-7) → C19H15FN4OS

Guidance literature:

4-thiomethyl-6-methylpyrimidine; methyl 4-flurobenzoate; With lithium hexamethyldisilazane; In tetrahydrofuran; at -10 - 20 ℃;

With bromine; acetic acid; at 0 - 20 ℃;

2-amino-4-hydroxymethylpyridine; In ethanol; at 80 ℃; Molecular sieve;

DOI:10.1016/j.bmcl.2018.11.039

Reference yield:

4-thiomethyl-6-methylpyrimidine (62671-89-0) + (6-aminopyrimidin-4-yl)methanol (436851-94-4) + methyl 4-flurobenzoate (403-33-8) → C18H14FN5OS

Guidance literature:

4-thiomethyl-6-methylpyrimidine; methyl 4-flurobenzoate; With lithium hexamethyldisilazane; In tetrahydrofuran; at -10 - 20 ℃;

With bromine; acetic acid; at 0 - 20 ℃;

(6-aminopyrimidin-4-yl)methanol; In ethanol; at 80 ℃; Molecular sieve;

DOI:10.1016/j.bmcl.2018.11.039

upstream raw materials:

4-methyl-6-chloropyrimidine

sodium thiomethoxide

Downstream raw materials:

4-hydrazinyl-6-methylpyrimidine