Ethyl 5-Bromoindole-2-carboxylate Chemical Properties

Melting point:

165 °C

Boiling point:

394.7±22.0 °C(Predicted)

Density 

1.554±0.06 g/cm3(Predicted)

storage temp. 

2-8°C

solubility 

soluble in Acetone

pka

14.05±0.30(Predicted)

form 

Solid

color 

White to Orange to Green

InChI

InChI=1S/C11H10BrNO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,13H,2H2,1H3

InChIKey

LWRLKENDQISGEU-UHFFFAOYSA-N

SMILES

N1C2=C(C=C(Br)C=C2)C=C1C(OCC)=O

CAS DataBase Reference

16732-70-0(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

WGK Germany 

3

HazardClass 

IRRITANT

HS Code 

2933998090

Storage Class

11 - Combustible Solids

Ethyl 5-Bromoindole-2-carboxylate Usage And Synthesis

Uses

Ethyl 5-Bromoindole-2-carboxylate is a biochemical reagent that can be used as a biological material or organic compound for life science related research.

Hazard

Ethyl 5-Bromoindole-2-carboxylate causes skin irritation and serious eye irritation.

Chemical Properties

Ethyl 5-Bromoindole-2-carboxylate is stable under normal conditions, it reacts with oxidizing agents.

Synthesis

The preparation of Ethyl 5-Bromoindole-2-carboxylate was as follows: A 25 mL Schlenk reaction tube was used, and 69 mg of p-bromoaniline, 9 mg of palladium acetate, and 80 mg of molecular sieve were added. Then, 93 mg of ethyl 2-oxopropionate, 96 mg of acetic acid, and 2 mL of dimethyl sulfoxide were injected. A 200 mL oxygen bulb was attached, and the mixture was stirred at 70 °C for 18 hours using a chemical book. After the reaction was complete, 15 mL of ethyl acetate was added to dilute the reaction solution. The mixture was filtered, washed twice with 10 mL of brine, and the organic phase was separated. The aqueous phase was extracted once with ethyl acetate. The organic phases were combined, and column chromatography was used to separate the target product, yielding 50 mg of pure ethyl 5-bromoindole-2-carboxylate (47% yield).

Ethyl 5-Bromoindole-2-carboxylate(16732-70-0)Related Product Information

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• Indole-3-acetic acid
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