Methyl 2-(9-bromo-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-pyrido[1,2,3-de]quinoxalin-5-yl)acetate
ALDRICH/901723 - ≥90%
Synonym: Aryl halide chemistry informer library compound X1
CAS Number: 150533-87-2
Empirical Formula (Hill Notation): C14H13BrN2O4
Molecular Weight: 353.17
MDL Number: MFCD00920757
Linear Formula: C14H13BrN2O4
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: 901723-100MG.
| assay | ≥90% |
| form | solid |
| functional group | bromo |
| ester | |
| InChI key | DJBJHCWNSQGQQA-UHFFFAOYSA |
| SMILES string | Brc1cc2c3c(c1)CCC(N3C(=O) |
| Application: | This product is Informer compound X1 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.  |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| Purity | ≥90% |
| UNSPSC | 12352101 |