3-[(4-Methylphenyl)thio]-1-phenyl-2-propen-1-one

Base Information

• Chemical Name: 3-[(4-Methylphenyl)thio]-1-phenyl-2-propen-1-one
• CAS No.: 106576-42-5
• Molecular Formula: C₁₆H₁₄OS
• Molecular Weight: 254.353
• DSSTox Substance ID: DTXSID601239046

Synonyms:3-[(4-methylphenyl)thio]-1-phenyl-2-propen-1-one;DTXSID601239046;106576-42-5

Chemical Property of 3-[(4-Methylphenyl)thio]-1-phenyl-2-propen-1-one

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 254.07653624
• Heavy Atom Count: 18
• Complexity: 284

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)SC=CC(=O)C2=CC=CC=C2

Technology Process of 3-[(4-Methylphenyl)thio]-1-phenyl-2-propen-1-one

There total 5 articles about 3-[(4-Methylphenyl)thio]-1-phenyl-2-propen-1-one 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:

para-thiocresol (106-45-6) + phenyl propargyl ketone (3623-15-2) → 1-phenyl-3-p-tolylsulfanyl propenone (106576-42-5) + 1-phenyl-3-p-tolylsulfanyl propenone (106576-42-5)

Guidance literature:

With L-arginine; In water; at 50 ℃; Overall yield = 80 %; Inert atmosphere; Green chemistry;

DOI:10.1039/c4ra02909g

Reference yield:

para-thiocresol (106-45-6) + phenyl propargyl ketone (3623-15-2) → 1-phenyl-3-p-tolylsulfanyl propenone (106576-42-5) + 1-phenyl-3-p-tolylsulfanyl propenone (106576-42-5)

Guidance literature:

With L-arginine; In water; at 50 ℃; Overall yield = 80 %; Inert atmosphere; Green chemistry;

DOI:10.1039/c4ra02909g

Reference yield:

para-thiocresol (106-45-6) + phenyl propargyl ketone (3623-15-2) → 1-phenyl-3-p-tolylsulfanyl propenone (106576-42-5)

Guidance literature:

DOI:10.1021/ja01576a062

upstream raw materials:

para-thiocresol

phenyl propargyl ketone

4-Methyl-benzenethiol anion

1-benzoyl-2-chloroethene

Downstream raw materials:

phenyl-1 tosyl-3 propene-2 one-1

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