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5118-13-8

  • Product Name4-BROMO-BENZO[B]THIOPHENE
  • Molecular FormulaC8H5BrS
  • Molecular Weight213.098
  • Purity99%
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Product Details

Quick Details

  • CasNo： 5118-13-8
  • Molecular Formula： C8H5BrS
  • Purity： 99%

Reputable Factory Supply Top Purity 4-BROMO-BENZO[B]THIOPHENE 5118-13-8 with the Best Price

  • Molecular Formula:C8H5BrS
  • Molecular Weight:213.098
  • Vapor Pressure:0.005mmHg at 25°C 
  • Refractive Index:1.704 
  • Boiling Point:284.713 °C at 760 mmHg 
  • Flash Point:125.99 °C 
  • PSA：28.24000 
  • Density:1.649 g/cm3 
  • LogP:3.66380 

4-BROMO-BENZO[B]THIOPHENE(Cas 5118-13-8) Usage

Synthesis

The traditional synthesis method is to take 2-bromo-6-fluorobenzaldehyde as a raw material, cyclize the raw material with mercaptoacetic acid in a DMF solvent to obtain 4-chlorobenzo [b] thiophene-2-carboxylic acid, and then decarboxylate the product at a high temperature in a quinoline/copper powder system to obtain the 4-chlorobenzo [b] thiophene.

Uses

4-bromobenzo [b] thiophene is an important intermediate in the drug ipiprazole for the treatment of schizophrenia.

InChI:InChI=1/C8H5BrS/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5H

5118-13-8 Relevant articles

Synthesis method of brexpiprazole intermediate 4-bromobenzo[b]thiophene

-

Paragraph 0016-0021, (2020/04/22)

The invention belongs to the field of ch...

Base-catalyzed aryl halide isomerization enables the 4-selective substitution of 3-bromopyridines

Bandar, Jeffrey S.,Puleo, Thomas R.

, p. 10517 - 10522 (2020/10/18)

The base-catalyzed isomerization of simp...

Synthesis method of 4-bromobenzo[b]thiophene

-

Paragraph 0019-0021; 0023; 0027-0029; 0033-0035; 0039-0041, (2020/03/02)

The invention discloses a novel synthesi...

Synthesis method of brexpiprazole intermediate 4-bromo-benzo[B]thiophene

-

Paragraph 0032-0061, (2019/04/17)

The invention discloses a synthesis meth...

5118-13-8 Process route

4-bromo-benzo[b]thiophene-2-carboxylic acid
5194-37-6

4-bromo-benzo[b]thiophene-2-carboxylic acid

4-bromobenzo[b]thiophene
5118-13-8

4-bromobenzo[b]thiophene

Conditions
Conditions Yield
With acetic acid; silver carbonate; In dimethyl sulfoxide; at 120 ℃; Further stages;
95%
With 1,8-diazabicyclo[5.4.0]undec-7-ene; In N,N-dimethyl acetamide; at 200 ℃; for 1h; microwave irradiation;
91%
With triethylenediamine; at 120 - 180 ℃; for 6h;
91.7%
With 1,8-diazabicyclo[5.4.0]undec-7-ene; In sulfolane; at 300 ℃; for 0.666667h; Inert atmosphere;
81%
4-bromo-benzo[b]thiophene-2-carboxylic acid; With quinoline; copper; at 195 ℃; for 5h;
With hydrogenchloride; water; at 0 ℃;
37%
copper; In quinoline; at 190 ℃; for 1h;
 
With copper;
 
Benzo[b]thiophene
95-15-8,11095-43-5

Benzo[b]thiophene

4-bromobenzo[b]thiophene
5118-13-8

4-bromobenzo[b]thiophene

Conditions
Conditions Yield
Benzo[b]thiophene; With dihydrogen peroxide; acetic acid; at 78 ℃; for 0.5h; Inert atmosphere;
With tetrabutylammomium bromide; sodium bromide; In water; at 120 ℃; for 20h; under 7220.48 Torr;
98.8%

5118-13-8 Upstream products

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    1-bromo-3-(2,2-diethoxy-ethylsulfanyl)benzene

5118-13-8 Downstream products

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    154650-81-4

    benzo[b]thiophene-6-carbonitrile

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