Benzyl (S)-2-(5-bromo-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate
ALDRICH/901719
Synonym: Aryl halide chemistry informer library compound X5
CAS Number: 199659-03-5
Empirical Formula (Hill Notation): C21H19BrN2O3
Molecular Weight: 427.29
MDL Number: MFCD22124901
Linear Formula: C21H19BrN2O3
Product Type: Chemical
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 901719-100MG.
| form | powder or crystals |
| InChI | 1S/C21H19BrN2O3/c22-15-8- |
| InChI key | CWHKVBJSRGJFFN-IBGZPJMESA |
| mp | 191 °C |
| SMILES string | Brc1cc2c([nH]cc2C(=O)[C@H |
| Application: | 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. |
| Disclaimer: | Not fully tested. |
| Other Notes: | Chemistry informer libraries: a chemoinformatics enabled approach to evaluate and advance synthetic methods, Chem. Sci., 2016, 7, 2604-2613  Synthesis of Complex Druglike Molecules by the Use of Highly Functionalized Bench-Stable Organozinc Reagents |
| WGK Germany | WGK 3 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| mp | 191 °C |
| UNSPSC | 12352101 |