4-CHLORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER Chemical Properties

Melting point:

95-97°

Boiling point:

338.7±22.0 °C(Predicted)

Density 

1.391±0.06 g/cm3(Predicted)

storage temp. 

2-8°C

Appearance

White to off-white Solid

InChI

InChI=1S/C10H7ClO2S/c1-13-10(12)9-5-6-7(11)3-2-4-8(6)14-9/h2-5H,1H3

InChIKey

CKXPDFHEOUVFRD-UHFFFAOYSA-N

SMILES

C12=CC=CC(Cl)=C1C=C(C(OC)=O)S2

Safety Information

HazardClass 

IRRITANT

HS Code 

2934999090

4-CHLORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER Usage And Synthesis

Uses

Methyl 4-Chlorobenzo[b]thiophene-2-carboxylate is a reactant in the synthesis of novel tachykinin NK2 receptor antagonists.

References

[1] Patent: WO2016/191366, 2016, A1. Location in patent: Page/Page column 34; 35
[2] Journal of Medicinal Chemistry, 2007, vol. 50, # 20, p. 4793 - 4807
[3] Bioorganic and Medicinal Chemistry Letters, 2005, vol. 15, # 12, p. 2998 - 3001

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