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Chemical Structure| 1056634-62-8 Chemical Structure| 1056634-62-8

Structure of 1056634-62-8

Chemical Structure| 1056634-62-8

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Product Details of [ 1056634-62-8 ]

CAS No. :1056634-62-8
Formula : C23H24N4O3
M.W : 404.46
SMILES Code : O=C(OCC)C1=CC=C(C2=NC(NC3=CC=C(N4CCOCC4)C=C3)=NC=C2)C=C1
MDL No. :MFCD18207173
InChI Key :NPXWSRDMHQCNRM-UHFFFAOYSA-N
Pubchem ID :25062762

Safety of [ 1056634-62-8 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319
Precautionary Statements:P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Application In Synthesis of [ 1056634-62-8 ]

* 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 [ 1056634-62-8 ]

[ 1056634-62-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 2524-67-6 ]
  • [ 499195-60-7 ]
  • [ 1056634-62-8 ]
YieldReaction ConditionsOperation in experiment
88% With toluene-4-sulfonic acid; In 1,4-dioxane;Heating / reflux; A mixture of <strong>[499195-60-7]ethyl 4-(2-chloropyrimidin-4-yl)benzoate</strong> (26.15 g, 99.7 mmol) and 4-morpholinoaniline (23.10 g, 129.6 mmol) was suspended in 1,4-dioxane (250 mL). p- Toluenesulfonic acid monohydrate (17.07 g, 89.73 mmol) was added. The mixture was heated at reflux for 40 h., cooled to ambient temperature, concentrated then the residue was partitioned between ethyl acetate and 1 : 1 saturated sodium bicarbonate/water (IL total). The organic phase was washed with water (2 x 100 mL) and concentrated. The aqueous phase was extracted with dichloromethane (3 x 200 mL). The material which precipitated during this workup was collected by filtration and set aside. The liquid organics were combined, concentrated, triturated with methanol (200 mL) and filtered to yield additional yellow solid. The solids were combined, suspended in methanol (500 mL), allowed to stand overnight then sonicated and filtered. The solids were washed with methanol (2x 50 mL) to give, after drying, ethyl 4-(2-(4- morphonlinophenylamino)pyrimidin-4-yl)benzoate (35.39 g , 88%). 1H NMR (300 MHz, J6-DMSO) delta 9.49 (IH, s); 8.54 (IH, d, J= 5.0 Hz); 8.27 (2H, d, J= 8.7 Hz); 8.10 (2H, d, J= 8.7 Hz), 7.66 (2H, d, J= 9.1 Hz); 7.38 (IH, d, J= 5.0Hz); 6.93 (2H, d, J= 8.7 Hz); 4.35 (2H, q, J= 6.9 Hz), 3.73 (4H, m); 3.04 (4H, m); 1.34 (3H, t, J= 6.9 Hz); LC-ESI- MS (method B): rt 7.5 min.; m/z 404.1 [M+H]+.
 

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