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Chemical Structure| 761440-16-8 Chemical Structure| 761440-16-8

Structure of 761440-16-8

Chemical Structure| 761440-16-8

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Product Details of [ 761440-16-8 ]

CAS No. :761440-16-8
Formula : C13H13Cl2N3O2S
M.W : 346.23
SMILES Code : CC(C)S(=O)(=O)C1=C(NC2=C(Cl)C=NC(Cl)=N2)C=CC=C1
MDL No. :MFCD12827956
InChI Key :WWVLDJAVSQZSKO-UHFFFAOYSA-N
Pubchem ID :59764378

Safety of [ 761440-16-8 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302+H312+H332-H315-H319-H335
Precautionary Statements:P261-P280-P305+P351+P338

Application In Synthesis of [ 761440-16-8 ]

* 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 [ 761440-16-8 ]

[ 761440-16-8 ] Synthesis Path-Downstream   1~2

  • 2
  • [ 110-80-5 ]
  • [ 761440-16-8 ]
  • [ 63304-81-4 ]
  • 2-ethoxyethyl 2-(3-((5-chloro-4-((2-(isopropylsulfonyl)phenyl)amino)pyrimidine-2-yl)amino)-4-methoxyphenyl)acetate [ No CAS ]
YieldReaction ConditionsOperation in experiment
35% With hydrogenchloride; at 90℃; 2,5-dichloro-N-(2-(isopropylsulfonyl)phenyl)py-rimidine-4-amine (0.81 g, 2.35 mmol) and the compound (0.34 g, 1.88 mmol) prepared in preparative example 16 were dissolved in 0.08 M HC1-ethoxyethanol (15 mE), followed by stirring at 90 C. Upon completion of the reaction, a new spot was formed under the starting material, which was confirmed by TEC. Water was added thereto to terminate the reaction, and the water layer was extracted twice with ethylacetate. The ethylacetate layer was washed with water and brine, dried over sodium sulfate, and concentrated under reduced pressure. Then, purification was performed by MPEC to give the target compound 2-ethoxy- ethyl 2-(3-((5-chloro-4-((2-(isopropylsulfonyl)phenyl) amino)pyrimidine-2-yl)amino)-4-methoxyphenyl)acetate (460 mg, 0.82 mmol, yield: 35%).10541] ‘H-NMR (300 MHz, CDC13) ö 9.48 (s, 1H), 8.52(d, J=8.4 Hz, 1H), 8.20-8.17 (m, 2H), 7.94 (d, J=8.4 Hz, 1H),7.72-7.67 (m, 1H), 7.61 (s, 1H), 7.3 1-7.28 (m, 1H), 6.92-6.82 (m, 2H), 4.24-4.21 (m, 2H), 3.89 (s, 3H), 3.64-3.61 (m,2H), 3.54-3.47 (m, 4H), 3.30-3.21 (m, 1H), 1.33 (d, J=6.9Hz, 6H); EC/MS 563 [M+H].
 

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