3-(3-Chlorophenyl)-1-(2-thienyl)-1-propanone

Base Information

• Chemical Name: 3-(3-Chlorophenyl)-1-(2-thienyl)-1-propanone
• CAS No.: 685108-38-7
• Molecular Formula: C₁₃H₁₁ClOS
• Molecular Weight: 250.749
• DSSTox Substance ID: DTXSID901259697
• Mol file: 685108-38-7.mol

Synonyms:685108-38-7;3-(3-chlorophenyl)-1-(2-thienyl)-1-propanone;3-(3-chlorophenyl)-1-(thiophen-2-yl)propan-1-one;3-(3-chlorophenyl)-1-thiophen-2-ylpropan-1-one;Bionet2_001087;DTXSID901259697;HMS1367B09;MFCD03617560;AKOS005076278;10T-0075

Chemical Property of 3-(3-Chlorophenyl)-1-(2-thienyl)-1-propanone

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 250.0219138
• Heavy Atom Count: 16
• Complexity: 244

Purity/Quality:

3-(3-Chlorophenyl)-1-(2-thienyl)-1-propanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)CCC(=O)C2=CC=CS2

Technology Process of 3-(3-Chlorophenyl)-1-(2-thienyl)-1-propanone

There total 1 articles about 3-(3-Chlorophenyl)-1-(2-thienyl)-1-propanone 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: 87.0%

1-bromo-3-chlorobenzene (108-37-2) + C16H11NO5S → C13H11ClOS (685108-38-7)

Guidance literature:

With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; 4,4'-di-tert-butyl-2,2'-bipyridine nickel(II) bromide; In N,N-dimethyl acetamide; at 20 ℃; for 24h; Irradiation; Inert atmosphere;

DOI:10.1039/d1sc00943e

upstream raw materials:

1-bromo-3-chlorobenzene

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