147713-35-7

Basic information

• Product Name: 6-CHLORO-2-METHYL-3,4-DIHYDRO-2H-1-BENZOTHIIN-4-ONE
• Synonyms: 6-CHLORO-2-METHYL-3,4-DIHYDRO-2H-1-BENZOTHIIN-4-ONE;6-Chloro-2-methyl-3,4-dihydro-2h-1-benzothiin-4-one, tech;6-CHLORO-2-METHYL(THIOCHROMANONE);6-chloro-2-methylthiochroman 1-oxide
• CAS NO: 147713-35-7
• Molecular Formula: C10H9ClOS
• Molecular Weight: 212.7
• Mol File: 147713-35-7.mol
• Article Data: 4

Chemical Properties

• Melting Point: 64 °C
• Boiling Point: 343°Cat760mmHg
• Flash Point: 161.2°C
• Appearance: /
• Density: 1.295g/cm³
• Vapor Pressure: 7.24E-05mmHg at 25°C
• Refractive Index: 1.602
• CAS DataBase Reference: 6-CHLORO-2-METHYL-3,4-DIHYDRO-2H-1-BENZOTHIIN-4-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 6-CHLORO-2-METHYL-3,4-DIHYDRO-2H-1-BENZOTHIIN-4-ONE(147713-35-7)
• EPA Substance Registry System: 6-CHLORO-2-METHYL-3,4-DIHYDRO-2H-1-BENZOTHIIN-4-ONE(147713-35-7)

Safety Data

• Hazardous Substances Data: 147713-35-7(Hazardous Substances Data)

Usage

General Description

6-CHLORO-2-METHYL-3,4-DIHYDRO-2H-1-BENZOTHIIN-4-ONE is a chemical compound that belongs to the class of benzothiophene derivatives. It is a yellow crystalline solid with a molecular formula of C9H9ClOS and a molecular weight of 214.68 g/mol. 6-CHLORO-2-METHYL-3,4-DIHYDRO-2H-1-BENZOTHIIN-4-ONE is commonly used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. It has also been studied for its potential antifungal and antibacterial properties. Additionally, its structure and properties make it a valuable building block in organic synthesis and chemical research.

InChI:InChI=1/C10H9ClOS/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-3,5-6H,4H2,1H3

Upstream product

• 90919-34-9 3-(4-chlorophenylthio)butanoic acid 
• 3724-65-0 2-butenoic acid 
• 106-54-7 p-Chlorothiophenol 
• 107-93-7 (E)-but-2-enoic acid 

Downstream Products

• 1361931-17-0 C₁₇H₁₆ClNO₃S₂ 
• 175205-44-4 6-chloro-2-methyl-1-thiochroman-4-one 1,1-dioxide 

Relevant articles and documents

Superelectrophilic Activation of Crotonic/Methacrylic Acids: Direct Access to Thiochroman-4-ones from Benzenethiols by Microwave-Assisted One-Pot Alkylation/Cyclic Acylation

An efficient microwave-assisted protocol for the synthesis of 2-/3-methylthiochroman-4-ones by superacid-catalyzed alkylation followed by cyclic acylation (cyclization via intramolecular acylation) is described. Using easily accessible benzenethiols and crotonic acid/methacrylic acid with triflic acid (as catalyst of choice for needed optimal acidity), the reaction was tuned toward the formation of the cyclized products in good selectivity and yield. A mechanism involving the formation of carbenium-carboxonium superelectrophilic species is suggested.

Synthesis of 1-tetralones by intramolecular Friedel-Crafts reaction of 4-arylbutyric acids using Lewis acid catalysts

Intramolecular Friedel-Crafts reaction of 4-arylbutyric acids efficiently proceeded in the presence of catalytic amounts of Lewis acids such as Bi(NTf2)3 and M(OTf)3 (M=Bi, Ga, In and rare-earth metals) to form 1-tetralones. Chroman-4-one and thiochroman-4-one were also obtained in good yields from 3-phenoxypropionic acid and 3-phenylthiopropionic acid, respectively.