4-BROMO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID Chemical Properties

Melting point:

265

Boiling point:

429.7±25.0 °C(Predicted)

Density 

1.813±0.06 g/cm3(Predicted)

storage temp. 

2-8°C(protect from light)

form 

powder

pka

3.27±0.30(Predicted)

color 

White

InChI

InChI=1S/C9H5BrO2S/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-4H,(H,11,12)

InChIKey

LAYNZUFIYSYHIV-UHFFFAOYSA-N

SMILES

C12=CC=CC(Br)=C1C=C(C(O)=O)S2

Safety Information

Hazard Codes 

Xi

HazardClass 

IRRITANT

HS Code 

2934999090

4-BROMO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID Usage And Synthesis

Synthesis

Step 3: (0367) To a 500 mL single neck flask was added ethyl 4-bromo-1-benzothiophene-2-carboxylate (20 g, 70.4 mmol), tetrahydrofuran (120 mL) and water (100 mL). Aqueous 4 N sodium hydroxide (40 mL) was added slowly with stirring, followed by heating the reaction mixture to 70 °C with continuous stirring for 1 hour. After completion of the reaction, the reaction mixture was extracted with ethyl acetate (70 mL x 2). The pH of the aqueous phase was adjusted to 12 with concentrated hydrochloric acid and the precipitated solid was filtered and dried to give 4-bromobenzo[b]thiophene-2-carboxylic acid (16 g, yield: 88%).

References

[1] Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1984, vol. 23, # 1, p. 38 - 41
[2] Patent: US2017/158680, 2017, A1. Location in patent: Paragraph 0361; 0366; 0367

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