2-(2-BENZOTHIAZOLYL)ACETIC ACID ETHYL ESTER Chemical Properties

Boiling point:

145 °C / 1.5mmHg

Density 

1.260±0.06 g/cm3(Predicted)

refractive index 

1.58

storage temp. 

Sealed in dry,Room Temperature

pka

0.72±0.10(Predicted)

Appearance

White to light yellow Solid

InChI

InChI=1S/C11H11NO2S/c1-2-14-11(13)7-10-12-8-5-3-4-6-9(8)15-10/h3-6H,2,7H2,1H3

InChIKey

VYMJUZXFYAREJY-UHFFFAOYSA-N

SMILES

S1C2=CC=CC=C2N=C1CC(OCC)=O

Safety Information

Risk Statements 

36/37/38

Safety Statements 

26-36/37/39

2-(2-BENZOTHIAZOLYL)ACETIC ACID ETHYL ESTER Usage And Synthesis

Chemical Properties

Yellow oil or crystalline

Uses

Ethyl 2-(benzo[d]thiazol-2-yl)acetate is a useful research chemical.

Synthesis

To a mixture of 2-aminothiophenol (5 g, 39.9 mmol) was added ethyl cyanoacetate (4.25 ml, 39.9 mmol). The reaction mixture was heated to 120°C under stirring and maintained at this temperature for 3 hours. Upon completion of the reaction, the volatile components were removed by concentration under reduced pressure to give 8 g of ethyl 2-(benzo[d]thiazol-2-yl)acetate, the product being a brown oil in 90% yield.

References

[1] Patent: CN104177379, 2016, B. Location in patent: Paragraph 0050; 0052; 0053
[2] Bulletin of the Korean Chemical Society, 2011, vol. 32, # 5, p. 1461 - 1462
[3] Patent: US2007/32652, 2007, A1. Location in patent: Page/Page column 20-21
[4] Patent: US2011/112086, 2011, A1. Location in patent: Page/Page column 16
[5] Journal of the American Chemical Society, 2010, vol. 132, # 4, p. 1276 - 1288

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