2(3H)-Thiophenone, 5-phenyl-

Base Information

• Chemical Name: 2(3H)-Thiophenone, 5-phenyl-
• CAS No.: 939-09-3
• Molecular Formula: C10H8OS
• Molecular Weight: 176.239
• DSSTox Substance ID: DTXSID70407764
• Wikidata: Q82213100

Synonyms:2(3H)-Thiophenone, 5-phenyl-;939-09-3;5-phenyl-2,3-dihydrothiophen-2-one;5-phenyl-3H-thiophen-2-one;5-phenylthiophen-2(3H)-one;DTXSID70407764;AKOS024351699

Chemical Property of 2(3H)-Thiophenone, 5-phenyl-

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 176.02958605
• Heavy Atom Count: 12
• Complexity: 214

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=C(SC1=O)C2=CC=CC=C2

Technology Process of 2(3H)-Thiophenone, 5-phenyl-

There total 2 articles about 2(3H)-Thiophenone, 5-phenyl- 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: 22.0%

succinylbenzene (2051-95-8) → 5-phenyl-3H-thiophen-2-one (939-09-3)

Guidance literature:

With tetraphosphorus decasulfide; In pyridine; chloroform; for 1.5h; Heating;

Reference yield:

→ 5-phenyl-3H-thiophen-2-one (939-09-3)

Guidance literature:

With diethyl ether; cyclohexylmagnesium bromide; at -20 ℃; Einleiten von Sauerstoff;

DOI:10.1021/ja01646a049

Reference yield: 76.0%

5-phenyl-3H-thiophen-2-one (939-09-3) + 4-chlorobenzaldehyde (104-88-1) → 3-[1-(4-Chloro-phenyl)-meth-(E)-ylidene]-5-phenyl-3H-thiophen-2-one (80224-53-9)

Guidance literature:

With hydrogenchloride; In ethanol; 1.) ice bath, 3 h, 2.) 0 deg C, 1 h;

DOI:10.1021/jo00166a023

upstream raw materials:

succinylbenzene

Downstream raw materials:

(E)-5,5'-diphenyl-[3,3']bithienylidene-2,2'-dione

3-[1-(4-Chloro-phenyl)-meth-(E)-ylidene]-5-phenyl-3H-thiophen-2-one

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