Payment Type: T/T
Incoterm: CIF
Min. Order: 1 Kilogram
Delivery Time: 15 Days

Basic Info

Model No.:  5118-13-8

Additional Info

Packaging: AS REQUIRED

Productivity: KGS


Transportation: Air

Place of Origin: CHINA


Certificate: ISO

Product Description

4-BROMO-BENZO[B]THIOPHENE cas number is 5118-13-8, it is an intermediate of Brexpiprazole, it is one of the cyclic compounds containing sulfur heteroatoms present in nature. It is not only an important organic synthesis intermediate, but also widely used as a basic skeleton of medicines, pesticides, functional materials, etc. Many compounds containing 4-bromo-benzo[B]thiophene structure have anti-inflammatory and analgesic effects, and antibiotics with 4-bromo-benzo[B]thiophene in pharmaceutical synthesis have better therapeutic effects than phenyl homologues.

    The most ideal synthetic route for 4-bromo-benzo[B]thiophene cas 5118-13-8 is the use of 3-bromothiophenol and 2-bromo-1,1-dimethoxyethane as starting materials, nucleophilic substitution via SN2 and intramolecular A two-step cyclization reaction is obtained. The specific procedure was as follows: In a 500 mL three-necked flask, 18.9 g of 3-bromothiophenol, 16.9 g of 2-bromo-1,1-dimethoxyethane, and 250 mL of DMF were added, and after stirring, 20.7 g of K2CO3 was added. Stir at 35~45 ℃ for 8 h, suction filtration, concentrate the filtrate under reduced pressure, dissolve the concentrate in 200 mL of ethyl acetate, wash with 100 mL of 10% NaOH and 100 mL of saturated brine, and keep the upper oil phase. After drying with 10 g of anhydrous Na.sub.2SO,Filtration was carried out again, the cake was washed with 50 mL of ethyl acetate, and the filtrate was concentrated under reduced pressure to give a crude product. Purification by column chromatography gave 22.8 g of a pale yellow oil. Add 100 mL of chlorobenzene and 20 g of polyphosphoric acid (PPA) to a 250 mL four-necked flask, start stirring, and warm the oil bath to 120-130 ° C. Dilute 13.8 g of the light yellow oil compound obtained by the first step reaction with 20 mL of chlorobenzene. It was added dropwise to the reaction flask, and the dropping time was about 1 h. After the dropwise addition was completed, the system was kept under reflux for 5 hours, and then cooled to room temperature. The chlorobenzene layer was decanted, and the residue was extracted twice with 50 mL of chlorobenzene. The chlorobenzene phase was combined and concentrated under reduced pressure. The concentrate was added to 50 mL of petroleum ether (boiling range 60-90 ℃ ), and then washed with 50 mL of a 10% NaHCO 3 solution to separate the oil phase. The oil phase was dried over 5 g of anhydrous Na.sub.2SO.sub.4. Purification by column chromatography gave 8.3 g of  colorless oil 4-BROMO-BENZO[B]THIOPHENE cas number 5118-13-8.

Thera. Category: Anti-Psychotics

Cas No.: 5118-13-8


Synonym:4-Bromothianaphthene;5-cyanobenzothiophene;4-bromo-thiophene;4-BROMO-BENZO[B]THIOPHENE;4-Bromobenzothiophene;4-BROMO-1-BENZOTHIOPHENE;Benzo[b]thiophene,4-broMo-;4-Bromo-1-benzothiophene, 4-Bromothianaphthene;

Molecular Formula:C8H5BrS

Molecular Weight:213.0943


PackingExport worthy packing

lMaterial Safety Data SheetAvailable on request 

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