94100-13-7

Basic information

• Product Name: 2,1-Benzisoxazole, 5-chloro-3-[2-(methylthio)phenyl]-
• CAS NO: 94100-13-7
• Molecular Formula: C14H10ClNOS
• Molecular Weight: 275.759
• Mol File: 94100-13-7.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 2,1-Benzisoxazole, 5-chloro-3-[2-(methylthio)phenyl]-(CAS DataBase Reference)
• NIST Chemistry Reference: 2,1-Benzisoxazole, 5-chloro-3-[2-(methylthio)phenyl]-(94100-13-7)
• EPA Substance Registry System: 2,1-Benzisoxazole, 5-chloro-3-[2-(methylthio)phenyl]-(94100-13-7)

Safety Data

• Hazardous Substances Data: 94100-13-7(Hazardous Substances Data)

Upstream product

• 26190-68-1 1-chloromethyl-2-methylsulfanylbenzene 
• 33384-77-9 2-(methylthio)benzyl alcohol 
• 27356-30-5 2-(2-(methylthio)phenyl)acetonitrile 
• 100-00-5 4-chlorobenzonitrile 

Downstream Products

• 846-53-7 7-chloro-5-(2-methylthiophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one 
• 105278-80-6 5-chloro-2'-(methylthio)-2-(phthalimidoacetamido)benzophenone 
• 115435-88-6 8-chloro-6-(2-methylthiophenyl)-1-(methylthiomethyl)-4H-s-triazolo<4,3-a>-1,4-benzodiazepine 
• 115435-85-3 8-chloro-6-(2-methylthiophenyl)-1-methyl-4H-s-triazolo<4,3-a>-1,4-benzodiazepine 
• 115103-02-1 7-chloro-5-(2-(methylthio)phenyl)-1,3-dihydro-1,4-benzodiazepin-2-thione 
• 839-86-1 2-amino-5-chloro-2'-(methylthio)benzophenone 

Relevant articles and documents

REACTION OF 4-CHLORO-1-NITROBENZENE WITH o-SUBSTITUTED PHENYLACETONITRILES; SYNTHESIS OF 8-CHLORO-1-METHYL(AND METHYLTHIOMETHYL)-6-(2-SUBSTITUTED PHENYL)-4H-s-TRIAZOLO-1,4-BENZODIAZEPINES

Reactions of 4-chloro-1-nitrobenzene with 2-methyl-, 2-methoxy- and 2-(methylthio)phenylacetonitrile in methanolic potassium hydroxide gave mixture from which the excepted 3-aryl-5-chloro-2,1-benzisoxazoles Ia-c were isolated in addition to the 2H-indoles IIIa and IIIc and acridines VIII and IX.The 2,1-benzisoxazoles were reduced to the 2-aminobenzophenones XIIa-c which were transformed via the phthalimidoacetamido compounds XIIIa-c to 5-aryl-7-chloro-1,3-dihydro-1,4-benzodiazepine-2-ones XVa-c.Treatment with phosphorus pentasulfide led to the thiones XVIa-c which reacted in boiling butanol either with acetohydrazide or with (methylthio)acetohydrazide to give the title compounds XVIIa-c and XVIIIa-c.They showed only weak anticonvulsant, incoordinating and central depressant effects.