tert-Butyl (S,Z)-(4-(4-bromothiophen-2-yl)-1,4-dimethyl-6-oxotetrahydropyrimidin-2(1H)-ylidene)carbamate
ALDRICH/901781
Synonym: Aryl halide chemistry informer library compound X13
CAS Number: 917471-29-5
Empirical Formula (Hill Notation): C15H20BrN3O3S
Molecular Weight: 402.31
Linear Formula: C15H20BrN3O3S
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: 901781-100MG.
| form | powder or crystals |
| mp | 98-105 °C |
| Application: | This product is Informer compound X13 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 analyze a reactions′s successes and shortcomings among different methods and various research teams. It may also be used to faciliate deeper method development for performance or utlity. |
| Caution: | Not Fully Tested. |
| Other Notes: | 1.Chemistry informer libraries: a chemoinformatics enabled approach to evaluate and advance synthetic methods, Chem. Sci., 2016, 7, 2604-2613  2.Nanomole-scale high-throughput chemistry for the synthesis of complex molecules 3. Aryl amination using ligand-free Ni(II) salts and photoredox catalysis |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| mp | 98-105 °C |
| UNSPSC | 12352101 |