40046-25-1

Basic information

• Product Name: Ethanone, 2-isothiocyanato-1-phenyl-
• CAS NO: 40046-25-1
• Molecular Formula: C9H7NOS
• Molecular Weight: 177.227
• Mol File: 40046-25-1.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: Ethanone, 2-isothiocyanato-1-phenyl-(CAS DataBase Reference)
• NIST Chemistry Reference: Ethanone, 2-isothiocyanato-1-phenyl-(40046-25-1)
• EPA Substance Registry System: Ethanone, 2-isothiocyanato-1-phenyl-(40046-25-1)

Safety Data

• Hazardous Substances Data: 40046-25-1(Hazardous Substances Data)

Upstream product

• 100-42-5 styrene 
• 1147550-11-5 ammonium thiocyanate 
• 98-86-2 acetophenone 
• 7257-94-5 1-phenyl-2-(p-tolylsulfonyloxy)ethanone 
• 540-72-7 sodium thiocyanide 
• 463-71-8 thiophosgene 
• 5468-37-1 2-aminoacetophenone hydrochloride 

Downstream Products

• 123217-09-4 2-methylthio-3-(2-oxo-2-phenylethyl)-4(3H)-quinazolinone 
• 123217-01-6 3-Phenacylquinazoline-2,4-(1H,3H)-dione 
• 123217-05-0 3-Phenacyl-2-thionoquinazolin-4(3H)-one 
• 16172-23-9 5-phenyl-3H-oxazole-2-thione 

Relevant articles and documents

Boron-doped TiO2(B-TiO2): visible-light photocatalytic difunctionalization of alkenes and alkynes

Boron-doped TiO2(B-TiO2) was prepared, characterized, and successfully applied as a reusable, inexpensive, available, and heterogeneous nanophotocatalyst under visible light for a novel method of construction of phenacyl thiocyanate compounds from double or triple bonds. Impressive aspects of this project are obtaining the desired compounds in a short time, using a renewable energy source, and using a catalyst with easy extraction that is solvent-safe, and without the use of any oxidants, bases, and ligands, or harsh conditions. This is the first report of the construction of phenacyl thiocyanates through this photocatalytic method under visible light.

SYNTHESIS AND STABILITY OF 2-OXOISOTHIOCYANATES

Enolizable 2-oxoisothiocyanates Ia-If were prepared from hydrochlorides of amino ketones, containing a hydrogenatom in the α-position, by reaction with thiophosgene in the presence of CaCO3.At room temperature the enol form of these compounds undergoes slow cyclization to give the isomeric 4-oxazoline-2-thiones IIb-IIf.In the presence of bases this isomerization proceeds rapidly even at room temperature. 2-Isothiocyanatocyclopentanone (Ia) does not cyclize to the corresponding oxazolinethione either on heating or action of bases.The rate of the thermally initiated isomerization of the 2-oxoisothiocyanates Ib-If was determined by IR spectroscopy.