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Chemical Structure| 13431-41-9 Chemical Structure| 13431-41-9

Structure of 13431-41-9

Chemical Structure| 13431-41-9

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Product Details of [ 13431-41-9 ]

CAS No. :13431-41-9
Formula : C8H11N3S
M.W : 181.26
SMILES Code : NNC(NCC1=CC=CC=C1)=S
MDL No. :MFCD00025145
InChI Key :ZTRUHAVBRPABTK-UHFFFAOYSA-N
Pubchem ID :737135

Safety of [ 13431-41-9 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301
Precautionary Statements:P264-P270-P301+P312-P330-P501
Class:6.1
UN#:2811
Packing Group:

Application In Synthesis of [ 13431-41-9 ]

* 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 [ 13431-41-9 ]

[ 13431-41-9 ] Synthesis Path-Downstream   1~4

  • 1
  • 4-benzyl-3-hydroxy-5-mercapto-1,2,4-triazole [ No CAS ]
  • [ 13431-41-9 ]
  • [ 541-41-3 ]
  • [ 622-78-6 ]
  • [ 3034-48-8 ]
  • 4-benzyl-3-hydroxy-5-[(5-nitrothien-2-yl)mercapto]1,2,4-triazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
Example 7 4-benzyl-3-hydroxy-5-[(5-nitrothien-2-yl)mercapto]1,2,4-triazole (Compound 9) The title compound was prepared in a manner similar to that described in Example 5 starting with benzyl isothiocyanate. The intermediate 4-benzyl-3-thiosemicarbazide (1.81 g) was treated with ethyl chloroformate (1.09 g) as in Example 5. The reaction product 4-benzyl-3-hydroxy-5-mercapto-1,2,4-triazole (1.04 g) was reacted with 1.05 g of <strong>[3034-48-8]<strong>[3034-48-8]2-bromo-5-nitrothiazol</strong>e</strong> as in Example 5. Crystallization from ethanol and water gave 0.3 g of 4-benzyl-3-hydroxy-5-[(5-nitrothien-2-yl)mercapto]1,2,4-triazole, a yellow solid, MP 221°-224° C.
Example 7 4-benzyl-3-hydroxy-5-[(5-nitrothien-2-yl)mercapto]1,2,4-triazole (Compound 7) The title compound was prepared in a manner similar to that described in Example 5 starting with benzyl isothiocyanate. The intermediate 4-benzyl-3-thiosemicarbazide (1.81 g) was treated with ethyl chloroformate (1.09 g) as in Example 5. The reaction product 4-benzyl-3-hydroxy-5-mercapto-1,2,4-triazole (1.04 g) was reacted with 1.05 g of <strong>[3034-48-8]<strong>[3034-48-8]2-bromo-5-nitrothiazol</strong>e</strong> as in Example 5. Crystallization from ethanol and water gave 0.3 g of 4-benzyl-3-hydroxy-5-[(5-nitrothien-2-yl)mercapto]1,2,4-triazole, a yellow solid, MP 221-224° C.
  • 2
  • 4-benzyl-3-hydroxy-5-mercapto-1,2,4-triazole [ No CAS ]
  • [ 13431-41-9 ]
  • [ 541-41-3 ]
  • [ 622-78-6 ]
  • [ 3034-48-8 ]
  • [ 186371-14-2 ]
YieldReaction ConditionsOperation in experiment
Example 7 4-benzyl-3-hydroxy-5-[(5-nitrothiazol-2-yl)mercapto]1,2,4-triazole (Compound 9) The title compound was prepared in a manner similar to that described in Example 5 starting with benzyl isothiocyanate. The intermediate 4-benzyl-3-thiosemicarbazide (1.81 g) was treated with ethyl chloroformate (1.09 g) as in Example 5. The reaction product 4-benzyl-3-hydroxy-5-mercapto-1,2,4-triazole (1.04 g) was reacted with 1.05 g of <strong>[3034-48-8]<strong>[3034-48-8]2-bromo-5-nitrothiazol</strong>e</strong> as in Example 5. Crystallization from ethanol and water gave 0.3 g of 4-benzyl-3-hydroxy-5-[(5-nitrothiazol-2-yl)mercapto]1,2,4-triazole, a yellow solid, MP 221°-224° C.
  • 3
  • [ 25032-74-0 ]
  • [ 13431-41-9 ]
  • [ 1220124-32-2 ]
  • 4
  • [ 13431-41-9 ]
  • [ 32974-92-8 ]
  • C15H17N5S [ No CAS ]
YieldReaction ConditionsOperation in experiment
82.3% In methanol; at 65℃; for 4h; (1) <strong>[32974-92-8]2-acetyl-3-ethylpyrazine</strong> (420 ul, 3 mmol) was dissolved in methanol (20 ml).After dissolution,4-Benzyl-3-thiosemicarbazide (501 mg 3 mmol) was added.well mixed,The mixed solution was refluxed at 65 C for 4 h.filter,The filtrate evaporates at room temperature.There are pale yellow crystals,Filter again,Wash 2-3 times with absolute ethanol,Obtaining a ligand L5;
 

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