1-Pyrrolidinecarboxylic acid, 2-[(5-bromo-1H-indol-3-yl)carbonyl]-, phenylmethyl ester, (S)- Chemical Properties

Melting point:

191 °C

Boiling point:

605.0±55.0 °C(Predicted)

Density 

1.505±0.06 g/cm3(Predicted)

storage temp. 

Storage temp. 2-8°C

solubility 

DCM, Methanol

form 

Oil

pka

14.40±0.30(Predicted)

color 

Brown

InChI

1S/C21H19BrN2O3/c22-15-8-9-18-16(11-15)17(12-23-18)20(25)19-7-4-10-24(19)21(26)27-13-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,19,23H,4,7,10,13H2/t19-/m0/s1

InChIKey

CWHKVBJSRGJFFN-IBGZPJMESA-N

SMILES

Brc1cc2c([nH]cc2C(=O)[C@H]3N(CCC3)C(=O)OCc4ccccc4)cc1

Safety Information

WGK Germany 

WGK 3

Storage Class

11 - Combustible Solids

1-Pyrrolidinecarboxylic acid, 2-[(5-bromo-1H-indol-3-yl)carbonyl]-, phenylmethyl ester, (S)- Usage And Synthesis

Uses

This product is Informer compound X5 of the Aryl Halide Chemistry Informer Library developed by chemists at Merck & Co., Inc., Kenilworth, NJ, U.S., which contains 18 drug-like molecules representative of those encountered in complex synthesis. By screening a new reaction against the Informer Library, chemists can directly compare and analyse a reaction′s successes and shortcomings among different methods and various research teams. It may also be used to facilitate deeper method development for performance or utility.