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Chemical Structure| 31784-71-1 Chemical Structure| 31784-71-1

Structure of 31784-71-1

Chemical Structure| 31784-71-1

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CAS No.: 31784-71-1

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Product Details of [ 31784-71-1 ]

CAS No. :31784-71-1
Formula : C6H4ClN3S
M.W : 185.63
SMILES Code : NC1=NC2=C(S1)N=C(Cl)C=C2
MDL No. :MFCD00275399
InChI Key :WCCLUBJCLSIZOC-UHFFFAOYSA-N
Pubchem ID :4266064

Safety of [ 31784-71-1 ]

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

Application In Synthesis of [ 31784-71-1 ]

* 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 [ 31784-71-1 ]

[ 31784-71-1 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 1050501-88-6 ]
  • [ 333-20-0 ]
  • [ 31784-71-1 ]
YieldReaction ConditionsOperation in experiment
79% With hydrogenchloride; In ethanol; water; at 100℃; A solution of <strong>[1050501-88-6]2-bromo-6-chloropyridin-3-amine</strong> (5 g, 24.1 mmol) and potassium thiocyanate (7 g, 72.3 mmol) in ethanol (50 mL) and cone hydrochloric acid (37%, 100 mL) was stirred at 100 C for 40-45 h. The completion of the reaction was confirmed by TLC (PE/EA = 7.5/2.5). The reaction mixture was cooled down to room temperature and concentrated to provide a brown solid, which was partitioned in dichloromethane (150 mL) and aqueous 1 N NaOH (50 mL). The solid was filtered and dried to afford the title compound (3.5 g, 79 % yield) as a light yellow solid. MS: 186.1 (M+H)+.
With hydrogenchloride; In ethanol; at 100℃; A solution of <strong>[1050501-88-6]2-bromo-6-chloropyridin-3-amine</strong> (5 g, 24.1 mmol) and potassium thiocyanate (7 g, 72.3 mmol) in ethanol (50 ml_), hydrochloric acid (37 %, 100 mL) was added and the reaction mixture was stirred at 100 C for 40-45 h. The completion of the reaction was confirmed by TLC. The reaction mixture was cooled to room temperature and concentrated to provide a brown solid, which was partitioned in dichloromethane (150 mL) and aqueous 1 N NaOH (50 mL). The solid was filtered and dried to provide the crude title compound as a light yellow solid (3.5 g, 79 %). The product was taken as such for next step.MS: 186.1 (M+H)+.
  • 2
  • [ 1050501-88-6 ]
  • [ 31784-71-1 ]
 

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