4-Methyl-beta-(2-aminophenylthio)-alpha,beta-dihydrochalcone

Base Information

• Chemical Name: 4-Methyl-beta-(2-aminophenylthio)-alpha,beta-dihydrochalcone
• CAS No.: 60246-65-3
• Molecular Formula: C22H21NOS
• Molecular Weight: 347.481
• DSSTox Substance ID: DTXSID201173408
• Nikkaji Number: J1.963.525B

Synonyms:DTXSID201173408;4-Methyl-beta-(2-aminophenylthio)-alpha,beta-dihydrochalcone;3-[(2-Aminophenyl)thio]-3-(4-methylphenyl)-1-phenyl-1-propanone;60246-65-3

Chemical Property of 4-Methyl-beta-(2-aminophenylthio)-alpha,beta-dihydrochalcone

Chemical Property:

• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 347.13438547
• Heavy Atom Count: 25
• Complexity: 412

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)SC3=CC=CC=C3N

Technology Process of 4-Methyl-beta-(2-aminophenylthio)-alpha,beta-dihydrochalcone

There total 4 articles about 4-Methyl-beta-(2-aminophenylthio)-alpha,beta-dihydrochalcone 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: 97.0%

4-methyl-chalcone (4224-87-7) + 2-amino-benzenethiol (137-07-5) → 3-(2-aminophenylthio)-1-phenyl-3-p-tolylpropan-1-one (60246-65-3)

Guidance literature:

With animal bone meal; In methanol; at 20 ℃; for 0.0833333h;

DOI:10.2174/157017810791112397

Reference yield: 92.0%

(E)-3-(4-methylphenyl)-1-phenyl-2-propen-1-one (22252-14-8,72758-77-1,4224-87-7) + 2-amino-benzenethiol (137-07-5) → 3-(2-aminophenylthio)-1-phenyl-3-p-tolylpropan-1-one (60246-65-3)

Guidance literature:

With lithium nitrate/natural phosphate; In methanol; at 20 ℃; for 2h;

DOI:10.1080/10426500601160397

Reference yield:

4-methyl-chalcone (4224-87-7) + 1,2-diamino-benzene (95-54-5) → 3-(2-aminophenylthio)-1-phenyl-3-p-tolylpropan-1-one (60246-65-3)

Guidance literature:

With 1-methyl-3H-imidazolium nitrate; at 80 ℃; for 1.5h; Inert atmosphere; Green chemistry;

DOI:10.1002/jhet.1827

upstream raw materials:

(E)-3-(4-methylphenyl)-1-phenyl-2-propen-1-one

2-amino-benzenethiol

4-methyl-chalcone

1,2-diamino-benzene

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