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Chemical Structure| 125209-79-2 Chemical Structure| 125209-79-2

Structure of 125209-79-2

Chemical Structure| 125209-79-2

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Product Details of [ 125209-79-2 ]

CAS No. :125209-79-2
Formula : C10H10N4S2
M.W : 250.34
SMILES Code : NC1=NC=CC=C1SSC2=CC=CN=C2N
MDL No. :MFCD23701606
InChI Key :BKJJNHRPIQKNTK-UHFFFAOYSA-N
Pubchem ID :10800703

Safety of [ 125209-79-2 ]

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

Application In Synthesis of [ 125209-79-2 ]

* 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 [ 125209-79-2 ]

[ 125209-79-2 ] Synthesis Path-Downstream   1~9

  • 1
  • [ 173278-49-4 ]
  • [ 125209-79-2 ]
  • 2
  • [ 125209-79-2 ]
  • [ 173278-50-7 ]
  • 3
  • [ 125209-79-2 ]
  • [ 173278-51-8 ]
  • 4
  • [ 125209-79-2 ]
  • 4-azaphenoxanthiine [ No CAS ]
  • 5
  • [ 125209-79-2 ]
  • 1,6-diazaphenoxanthiine [ No CAS ]
  • 6
  • [ 125209-79-2 ]
  • 2,6-diazaphenoxanthiine [ No CAS ]
  • 7
  • [ 125209-79-2 ]
  • [ 173278-52-9 ]
  • 8
  • [ 110402-20-5 ]
  • [ 125209-79-2 ]
YieldReaction ConditionsOperation in experiment
68% With oxygen; In water; at 50.0℃; for 12.0h; Step 4: The crude product 4 from last step was dissolved in ammonia, air was bubbled in until LC-MS indicated no starting material existed. The solution was filtered, 170 mg 3,3'-disulfanediyldipyridin-2-amine 5 as a slight yellow solid was obtained, yield 68%. ESI-MS: 251.2 [M+H]. 1HNMR (400MHz, CDCl3): 8.08 (m, 2H),7.34 (m, 2H), 6.53 (m, 2H), 5.23 (s, 6H).
With ammonia; oxygen; for 12.0h; Step 4: The crude product 4 from last step was dissolved in ammonia, air was bubbled in until LC-MS indicated no starting material existed. The solution was filtered, 170 mg 3,3'-disulfanediyldipyridin-2-amine 5 as a slight yellow solid was obtained, yield 68%. ESI-MS: 251.2 [M+H]. 1H NMR (400 MHz, CDCl3): 8.08 (m,2H), 7.34 (m, 2H), 6.53 (m, 2H), 5.23 (s, 6H).
  • 9
  • [ 125209-79-2 ]
  • [ 110402-20-5 ]
YieldReaction ConditionsOperation in experiment
98% With sodium tetrahydroborate; In acetonitrile; at 20.0℃; for 18.0h;Product distribution / selectivity; Step 1 : 2-aminopyridine-3 -thiol was prepared from 3,3'- disulfanediyldipyridin-2-amine by following Method G in 98% yield. This product was used without further purification.
 

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