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Chemical Structure| 936092-53-4 Chemical Structure| 936092-53-4

Structure of 936092-53-4

Chemical Structure| 936092-53-4

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Product Details of [ 936092-53-4 ]

CAS No. :936092-53-4
Formula : C15H19ClN4O2S
M.W : 354.86
SMILES Code : O=S(C1=CC=CC(NC2=NC(Cl)=NC=C2C)=C1)(NC(C)(C)C)=O
MDL No. :MFCD16619372
InChI Key :VINYOUWDZHOVFB-UHFFFAOYSA-N
Pubchem ID :53401091

Safety of [ 936092-53-4 ]

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

Application In Synthesis of [ 936092-53-4 ]

* 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 [ 936092-53-4 ]

[ 936092-53-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 361345-40-6 ]
  • [ 936092-53-4 ]
  • N-tert-butyl-3-[5-methyl-2-(4-piperazin-1-ylmethyl-phenylamino)-pyrimidin-4-ylamino]-benzenesulfonamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
22% [0201] A mixture of intermediate 33 (0.10 g, 0.28 mmol), 4-(4-amino-benzyl)-piperazine- 1-carboxylic acid tert-butyl ester (0.1 g, 0.34 mmol), Pd2(dba)3 (15 mg, 0.016 mmol), Xantphos (20 mg, 0.035 mmol) and cesium carbonate (0.20 g, 0.61 mmol) in dioxane/DMF (3/1, 4 mL) was sealed in a microwave reaction tube and irradiated with microwave at 170 C for 15 min. After cooling to room temperature, the cap was removed and the resulting mixture filtered. The filtered solid was washed with DCM and the filtrate concentrated. The residue was dissolved in DCM (6 mL) and TFA (3 mL) added. The mixture was stirred at room temperature for Ih, concentrated and the residue purified by HPLC. The corrected fractions were combined and poured into saturated NaHCO3 solution (30 mL). The combined aqueous layers were extracted with EtOAc (2 x 30 mL) and the combined organic layers washed with brine, dried over anhydrous Na2SO4 and filtered. The filtrate was concentrated and the resulting solid triturated in hexanes/EtOAc (10/1, 55 mL). After filtration, the title compound was obtained as a white solid (32 mg, 22%). <n="121"/>[0202] 1H NMR (500 MHz, DMSOd6): δ 1.12 (s, 9H), 2.13 (s, 3H), 2.30-2.40 (m, 4H)5 2.85 (t, J= 4.7 Hz, 4H), 3.38 (s, 2H), 7.09 (d, J= 8.5 Hz, 2H), 7.45-7.52 (m, 2H), 7.56 (s, IH), 7.59 (d, J= 8.5 Hz, 2H), 7.94 (s, IH), 8.10 (s, IH), 8.13-8.16 (m, IH), 8.59 (s, IH), 8.96 (s, IH). MS (ES+): m/z 510 (M+H)+.
 

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Related Parent Nucleus of
[ 936092-53-4 ]

Pyrimidines

Chemical Structure| 936091-14-4

A469558 [936091-14-4]

N-(tert-Butyl)-3-((5-methyl-2-((4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)benzenesulfonamide

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