Cat.NO.:A755813 Purity:98%
Product Details of [ 100859-84-5 ]
| CAS No. : | 100859-84-5 |
| Formula : |
C6H5ClN2O |
| M.W : |
156.57
|
| SMILES Code : | NC(=O)C1=CC(Cl)=NC=C1 |
| MDL No. : | MFCD00221401 |
| InChI Key : | DEMJOLRJLACBRX-UHFFFAOYSA-N |
| Pubchem ID : | 2800022 |
Safety of [ 100859-84-5 ]
| GHS Pictogram: |  |
| Signal Word: | Warning |
| Hazard Statements: | H302-H317-H319 |
| Precautionary Statements: | P280-P305+P351+P338 |
Application In Synthesis of [ 100859-84-5 ]
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
- Downstream synthetic route of [ 100859-84-5 ]
[ 100859-84-5 ] Synthesis Path-Downstream 1~1
- 1
[ 100859-84-5 ]
[ 13958-93-5 ]
[ 1589084-87-6 ]
| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| 85% | 3,5-Dichloro-N- [(2-chloro-pyridin-4-yl)-imino-methyl] -isonicotinamide [B007] A mixture of <strong>[13958-93-5]3,5-dichloropyridine-4-carboxylic acid</strong> (15 g, 78.12 mmol), DIPEA (37.5 mL, 214 mmol) in DMF (400 mL) was stirred at room temperature then HATU (29.7g, 78.12 mmol) was added in one portion and the mixture was left to stir for 45 min. 2- Chloro-isonicotinamide (14.25g, 74.2 mmol) was added and the mixture left to stir for a further 2 hours. The crude reaction mixture was then poured onto water (800 mL) and left to stir overnight. The crude reaction mixture was filtered and the solid washed with water, then dried in in a vacuum oven over night to give the title compound (22g, 85% yield) as an off white solid: LCMS method: 1, RT:4.89 min, MI 330 [M+H]; NMR: (1H, 300MHz, d6-dmso); 10.25 (1H, br s), 10.10 (1H, br s), 8.70 (2H, s), 8.57 (1H, s), 7.99 (1H, s), 7.88 (IH, s). |
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