73877-69-7

Basic information

• Product Name: 1H-2-Benzothiopyran-4(3H)-one, 3-[(4-methoxyphenyl)methylene]-
• CAS NO: 73877-69-7
• Molecular Formula: C17H14O2S
• Molecular Weight: 282.363
• Mol File: 73877-69-7.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 1H-2-Benzothiopyran-4(3H)-one, 3-[(4-methoxyphenyl)methylene]-(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-2-Benzothiopyran-4(3H)-one, 3-[(4-methoxyphenyl)methylene]-(73877-69-7)
• EPA Substance Registry System: 1H-2-Benzothiopyran-4(3H)-one, 3-[(4-methoxyphenyl)methylene]-(73877-69-7)

Safety Data

• Hazardous Substances Data: 73877-69-7(Hazardous Substances Data)

Upstream product

• 4426-76-0 2-isothiochroman-4-one 
• 100-52-7 benzaldehyde 
• 103-46-8 S-benzylmercaptoacetic acid 
• 2899-67-4 ethyl (benzylthio)acetate 
• 100-44-7 benzyl chloride 

Downstream Products

• 931583-15-2 3-(4-chlorophenyl)-4-(4-methoxyphenyl)isothiochromeno[3,4-e][1,2]oxazine 
• 931582-98-8 C₂₄H₁₈ClNO₃S 
• 931583-13-0 4-(4-methoxyphenyl)-3-(4-nitrophenyl)isothiochromeno[3,4-e][1,2]oxazine 
• 931582-96-6 C₂₄H₁₈N₂O₅S 
• 931583-12-9 3,4-bis(4-methoxyphenyl)isothiochromeno[3,4-e][1,2]oxazine 
• 931582-95-5 3',4'-di-(4-methoxyphenyl)-4'H-spiro[isothiochromene-3,5'-isoxazol]-4(1H)-one 
• 931583-11-8 4-(4-methoxyphenyl)-3-(4-methylphenyl)isothiochromeno[3,4-e][1,2]oxazine 
• 931582-94-4 3'-(4-methylphenyl)-4'-(4-methoxy-phenyl)-4'H-spiro[isothiochromene-3,5'-isoxazol]-4(1H)-one 
• 931583-10-7 4-(4-methoxyphenyl)-3-phenylisothiochromeno[3,4-e][1,2]oxazine 
• 931582-93-3 C₂₄H₁₉NO₃S 
• 130542-54-0 1-(4-Methoxy-phenyl)-2,4-diphenyl-4H-10-thia-3,4-diaza-phenanthrene 
• 130542-48-2 C₃₀H₂₄N₂O₂S 

Relevant articles and documents

Crystal Structure of 3-(4-Methoxy-benzylidene)-isothiochroman-4-one

The title compound, 3-(4-methoxy-benzylidene)-isothiochroman-4-one (C 17H14O2S) was prepared from the reaction of isothiochroman-4-one with benzaldehyde in the presence of small amount of HCl. The structure of the synthesised compound was determined by IR, 1H NMR and X-ray crystallography. The structure was solved in monoclinic, space group P21/n with a = 3.9773 (7) A, b = 10.918 (2) A, c = 30.609 (6) A, β = 90.615 (3)°, V = 1329.1 (4) A3, Z = 4 and with R int = 0.047. The bicyclic ring of isothiochroman-4-one moiety does not adopt a planar geometry. The molecular conformation is stable via C10-H???O1 and C16- H???S1 intramolecular hydrogen-bonding interactions. These contacts involve molecules in an extended two-dimensional sheet to the bc plane.