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Structure of 441715-01-1

Chemical Structure| 441715-01-1

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Product Details of [ 441715-01-1 ]

CAS No. :441715-01-1
Formula : C7H3BrFNS
M.W : 232.07
SMILES Code : FC1=CC=C(SC(Br)=N2)C2=C1
MDL No. :MFCD09749235
InChI Key :CRPBXAYZSUWBMX-UHFFFAOYSA-N
Pubchem ID :17859396

Safety of [ 441715-01-1 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338

Application In Synthesis of [ 441715-01-1 ]

* 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 [ 441715-01-1 ]

[ 441715-01-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 441715-01-1 ]
  • [ 76593-36-7 ]
  • N-(6-chloro-4,5-dimethylpyridazin-3-yl)-5-fluoro-1,3-benzothiazol-2-amine [ No CAS ]
YieldReaction ConditionsOperation in experiment
97% With sodium hydride; In 1,4-dioxane; mineral oil; for 1.0h;Reflux; To 158 mg of 6-chloro-4,5-dimethyl-pyridazin-3-amine (1 mmol, 1 eq.) and 348 mg of 2- bromo-5-fluoro-1,3-benzothiazole (1.5 mmol, 1.5 eq.) in 20 mL of 1,4-dioxane was added 160 mg of sodium hydride (60w%, 4 mmol, 4 eq.) and the mixture was stirred at reflux for 1 h. After cooling, the reaction was quenched with 2 mL of EtOH, concentrated, and treated with 20 mL of water. The precipitated solid was filtered off to give 300 mg (97%) of the desired product. 1H NMR (500 MHz, DMSO-d6) d ppm 7.81 (dd, 1 H), 7.29 (dd, 1 H), 7.00 (td, 1 H), 2.34 (s, 3 H), 2.29 (s, 3 H); 13C NMR (125 MHz DMSO-d6) d ppm 162.2, 161.9, 154.1, 152.0, 145.5, 137.4, 131.1, 125.8, 123.3, 110.6, 103.5, 15.7, 13.3; LC-MS-ESI (m/z): [M+H]+ calcd for C13H11ClFN4S: 309.8, found: 309 and 307 [M-H]-.
 

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