4-Methyl-6-phenyl-2-pyrimidinyl thiocyanate

Base Information

• Chemical Name: 4-Methyl-6-phenyl-2-pyrimidinyl thiocyanate
• CAS No.: 55055-29-3
• Molecular Formula: C₁₂H₉N₃S
• Molecular Weight: 227.29
• European Community (EC) Number: 651-907-9

Synonyms:4-Methyl-6-phenyl-2-thiocyanatopyrimidine;55055-29-3;4-methyl-6-phenyl-2-pyrimidinyl thiocyanate;SCHEMBL3410200;AKOS003617788;[(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl]formonitrile

Chemical Property of 4-Methyl-6-phenyl-2-pyrimidinyl thiocyanate

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 227.05171847
• Heavy Atom Count: 16
• Complexity: 267

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=NC(=N1)SC#N)C2=CC=CC=C2

Technology Process of 4-Methyl-6-phenyl-2-pyrimidinyl thiocyanate

There total 1 articles about 4-Methyl-6-phenyl-2-pyrimidinyl thiocyanate 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-phenyl-2-pyrimidinyl thiocyanate (55055-29-3)

Guidance literature:

2-Amino-1,3,4-thiadiazol, entspr. β-Diketon;

DOI:10.1007/BF00474329

Reference yield: 95.0%

trimethyl(difluoromethyl)silane (65864-64-4) + 4-methyl-6-phenyl-2-pyrimidinyl thiocyanate (55055-29-3) → 2-[(difluoromethyl)thio]-4-methyl-6-phenylpyrimidine

Guidance literature:

With copper(I) thiocyanate; cesium fluoride; In N,N-dimethyl-formamide; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1002/anie.201500899

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