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CAS No. : | 872511-35-8 | MDL No. : | MFCD21648507 |
Formula : | C17H24N6 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | 312.41 | Pubchem ID : | - |
Synonyms : |
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Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 | UN#: | N/A |
Hazard Statements: | H315-H319 | Packing Group: | N/A |
GHS Pictogram: |
* 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.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
80.20% | With water; acetic acid;Reflux; | A mixture of 5 (0.49g, 2.39mmol), H2O (0.75ml) and AcOH (3ml) was mixed with the 83 (0.15g, 3.13mmol) and refiuxed for overnight. The reaction was quenched by saturated NaHCO3 (aq.) and the mixture was extracted by ethyl acetate (30ml x 3). The residue was purified by flash column over silica gel (dichloromethane: methanol = 9: 1, Rf = 0.25) to afford 87 (0.60g, 80.20%) as a pale orange solid. 1H-NMR (300MHz, CDCl3): delta 1.16 (t, J= 7.2 Hz, 3H), 2.48 (q, J= 7.2 Hz, 2H), 2.64 (t, J= 5.1 Hz, 4H), 2.81 (d, J= 5.4 Hz, 3H), 3.22 (t, J= 5.1 Hz, 4H), 4.86 (s, 1H), 5.54 (s, 1H), 6.69 (s, 1H), 6.95 (d, J= 9.0 Hz, 2H), 7.18 (d, J= 8.7 Hz, 2H), 8.14 (s, 1H). |
With hydrogenchloride; In 1,4-dioxane; at 150℃; for 5h;Product distribution / selectivity; | N-f4-(4-ethyl-piperazin-1-yl)-phenyll-N'-methvi-pyrimidine-4,6-diamine A mixture of <strong>[115619-01-7]4-(4-ethylpiperazin-1-yl)-aniline</strong> (1 g, 4.88 mmol) (prepared in analogy to Example 238, Step 238.1), (6-chloro-pyhmidin-4-yl)-methyl-amine (1.81 g, 12.68 mmol, 1.3 eq.) and 4N HCI in dioxane (15 ml) is heated in a sealed tube to 150DC for 5h. The reaction mixture is concentrated, diluted with DCM and a saturated aqueous solution of sodium bicarbonate. The aqueous layer is separated and extracted with DCM, The organic phase is washed with brine, dried (sodium sulfate), filtered and concentrated. Purification of the residue by silica gel column chromatography (DCM/MeOH, 93:7) followed by trituration in diethyl ether affords the title compound as a white solid: ESI-MS: 313.2 [MH]+; tR= 1.10 min (system 1); TLC: Rf = 0.21 (DCM/MeOH, 93:7). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With hydrogenchloride; In 1,4-dioxane; at 150℃; for 5h;sealed tube; | A mixture of 4-(4-ethylpiperazin-l-yl)-aniline (1 g, 4.88 mmol), (6-chloro- pyrimidin-4-yl)-methyl-amine (1.81 g, 12.68 mmol, 1.3 eq.), and 4N HC1 in dioxane (15 ml) is heated in a sealed tube to 150C for 5h. The reaction mixture is concentrated, diluted with DCM and a saturated aqueous solution of sodium bicarbonate. The aqueous layer is separated and extracted with DCM. The organic phase is washed with brine, dried (sodium sulfate), filtered and concentrated. Purification of the residue by silica gel column chromatography (DCM/MeOH, 93:7) followed by trituration in diethyl ether affords the title compound as a white solid: ESI-MS: 313.2 [MH]+; tR= 1.10 min (gradient J); TLC: Rf = 0.21 (DCM/MeOH, 93:7). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: toluene / 1.5 h / Reflux 2: phosphoric acid / isopropanol; lithium hydroxide monohydrate / 0.5 h / 50 - 60 °C |