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Chemical Structure| 950769-61-6 Chemical Structure| 950769-61-6

Structure of 950769-61-6

Chemical Structure| 950769-61-6

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Product Details of [ 950769-61-6 ]

CAS No. :950769-61-6
Formula : C21H22N4O2S
M.W : 394.49
SMILES Code : NC1=CC=C(C2=CN3C(SC4=CC(OCCN5CCOCC5)=CC=C34)=N2)C=C1

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Application In Synthesis of [ 950769-61-6 ]

* 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 [ 950769-61-6 ]

[ 950769-61-6 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 950769-61-6 ]
  • [ 4865-84-3 ]
  • 2-benzo[d]isoxazol-3-yl-n-{4-[7-(2-morpholin-4-yl-ethoxy)-benzo[d]imidazo[2,1-b]thiazol-2-yl]-phenyl}-acetamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In N,N-dimethyl-formamide; at 20℃; A. Benzo[d]isoxazol-3-yl-acetic acid (0.260 g, 1.47 mmol) was dissolved in 10 mL of dry DMF. To this solution was added HOBt (1-hydroxybenzotriazole hydrate, 0.238 g, 1.76 mmol) and EDCI (N-(3-dimethylaminopropyl)-N'-ethylcarbodiimide hydrochloride, 0.338 g, 1.76 mmol). After 20 minutes triethylamine (0.354 g, 0.487 mL, 3.5 mmol) was added followed by the addition of the amine intermediate from Example 3D (0.394 g, 1.50 mmol), the reaction was allowed to stir overnight at room temperature. The solution was then poured into brine, and extracted with ethyl acetate and then CH2Cl2. The combined extracts were dried over magnesium sulfate, filtered and concentrated to a solid. This was purified using silica gel chromatography, with a gradient of 0-10% methanol in CH2Cl2. containing 0.1% triethylamine. The appropriate fractions were collected and concentrated. The solid recrystallized from methanol, CH2Cl2, ethyl acetate. The resulting solid collected by filtration, and dissolved in methanol -CH2Cl2.
  • 2
  • [ 65300-53-0 ]
  • [ 950769-61-6 ]
 

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