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[ CAS No. 53918-05-1 ] {[proInfo.proName]}

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Chemical Structure| 53918-05-1
Chemical Structure| 53918-05-1
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Product Details of [ 53918-05-1 ]

CAS No. :53918-05-1 MDL No. :MFCD00175753
Formula : C5H5N3S2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 171.24 Pubchem ID :-
Synonyms :

Safety of [ 53918-05-1 ]

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Precautionary Statements: UN#:
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Application In Synthesis of [ 53918-05-1 ]

* 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 [ 53918-05-1 ]

[ 53918-05-1 ] Synthesis Path-Downstream   1~37

  • 1
  • [ 79-03-8 ]
  • [ 53918-05-1 ]
  • [ 80088-38-6 ]
YieldReaction ConditionsOperation in experiment
72% With triethylamine In acetonitrile for 1h; Heating;
  • 2
  • [ 541-41-3 ]
  • [ 53918-05-1 ]
  • [ 80088-47-7 ]
YieldReaction ConditionsOperation in experiment
75% With sodium carbonate In ethanol for 1h; Heating;
26% With triethylamine In acetonitrile for 1h; Heating;
  • 3
  • [ 618-46-2 ]
  • [ 53918-05-1 ]
  • [ 80088-44-4 ]
YieldReaction ConditionsOperation in experiment
92% With triethylamine In acetonitrile for 1h; Heating;
  • 4
  • [ 609-65-4 ]
  • [ 53918-05-1 ]
  • [ 80088-43-3 ]
YieldReaction ConditionsOperation in experiment
88% With triethylamine In acetonitrile for 1h; Heating;
  • 5
  • [ 98-88-4 ]
  • [ 53918-05-1 ]
  • [ 80088-42-2 ]
YieldReaction ConditionsOperation in experiment
94% With triethylamine In acetonitrile for 1h; Heating;
52% With triethylamine In 1,4-dioxane at 20℃; for 12h; N-[5-(Prop-2-yn-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide (4c). Compound 4b, 0.60 g (3.4 mmol),was dissolved in 10 mL of dioxane, 1.21 m L(3.4 mmol) of triethylamine and 0.58 mL (3.4 mmol)of benzoyl chloride were added, and the mixture was stirred for 12 h at room temperature. The precipitate was filtered off, the solvent was distilled off fromthe filtrate, and the residue was recrystallized from ethanol. Yield 0.49 g (52%), white solid, mp 198-200°C. 1H NMR spectrum (DMSO-d6), δ, ppm: 3.36 t(1H, ≡CH, J = 2.5 Hz), 4.11 d (2H, SCH2, J = 2.6 Hz),7.55-7.60 m (2H, Harom), 7.65-7.70 m (1H, Harom),8.12-8.15 m (2H, Harom), 13.19 br.s (1H, NH).13C NMR spectrum (DMSO-d6), δC, ppm: 8.9, 22.6,45.9, 75.6, 79.9, 128.9, 129.1, 131.7, 133.5, 157.9,160.9, 165.7. Found, %: C 52.32; H 3.31; N 15.22.C12H9N3OS2. Calculated, %: C 52.34; H 3.29; N 15.26.
  • 6
  • [ 103-71-9 ]
  • [ 53918-05-1 ]
  • [ 80088-50-2 ]
YieldReaction ConditionsOperation in experiment
91% In 1,4-dioxane for 6h; Ambient temperature;
  • 7
  • [ 122-01-0 ]
  • [ 53918-05-1 ]
  • [ 80088-45-5 ]
YieldReaction ConditionsOperation in experiment
92% With triethylamine In acetonitrile for 1h; Heating;
  • 8
  • [ 624-65-7 ]
  • [ 2349-67-9 ]
  • [ 53918-05-1 ]
YieldReaction ConditionsOperation in experiment
75% With potassium hydroxide In ethanol; water for 12h; Heating;
  • 9
  • [ 3173-53-3 ]
  • [ 53918-05-1 ]
  • [ 80088-49-9 ]
YieldReaction ConditionsOperation in experiment
71% In 1,4-dioxane for 6h; Ambient temperature;
  • 10
  • [ 7154-66-7 ]
  • [ 53918-05-1 ]
  • [ 80088-46-6 ]
YieldReaction ConditionsOperation in experiment
89% With triethylamine In acetonitrile for 1h; Heating;
  • 11
  • [ 75-36-5 ]
  • [ 53918-05-1 ]
  • [ 80088-37-5 ]
YieldReaction ConditionsOperation in experiment
92% With triethylamine In acetonitrile for 1h; Heating;
  • 12
  • [ 624-83-9 ]
  • [ 53918-05-1 ]
  • [ 26861-42-7 ]
YieldReaction ConditionsOperation in experiment
66% In 1,4-dioxane for 6h; Ambient temperature;
  • 13
  • [ 141-75-3 ]
  • [ 53918-05-1 ]
  • [ 80088-39-7 ]
YieldReaction ConditionsOperation in experiment
71% With triethylamine In acetonitrile for 1h; Heating;
  • 14
  • [ 102-36-3 ]
  • [ 53918-05-1 ]
  • [ 80088-51-3 ]
YieldReaction ConditionsOperation in experiment
86% In 1,4-dioxane for 6h; Ambient temperature;
  • 15
  • [ 103-80-0 ]
  • [ 53918-05-1 ]
  • [ 80088-41-1 ]
YieldReaction ConditionsOperation in experiment
89% With triethylamine In acetonitrile for 1h; Heating;
  • 16
  • [ 2937-50-0 ]
  • [ 53918-05-1 ]
  • [ 141992-82-7 ]
YieldReaction ConditionsOperation in experiment
72% With sodium carbonate In ethanol at 35℃; for 1h;
  • 17
  • [ 2937-50-0 ]
  • [ 53918-05-1 ]
  • [ 141992-64-5 ]
YieldReaction ConditionsOperation in experiment
65% With sodium carbonate In ethanol for 1h; Heating;
  • 18
  • [ 57526-28-0 ]
  • [ 53918-05-1 ]
  • 2-Methyl-N-(5-prop-2-ynylsulfanyl-[1,3,4]thiadiazol-2-yl)-butyramide [ No CAS ]
YieldReaction ConditionsOperation in experiment
87% With triethylamine In acetonitrile for 1h; Heating;
  • 19
  • [ 53918-05-1 ]
  • [ 1795-48-8 ]
  • [ 80088-48-8 ]
YieldReaction ConditionsOperation in experiment
80% In 1,4-dioxane for 6h; Ambient temperature;
  • 21
  • [ 53918-05-1 ]
  • [ 141992-65-6 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 75 percent / Na2CO3 / ethanol / 1 h / Heating 2: 63 percent / CuCl / dioxane / 3 h / 70 °C
  • 22
  • [ 53918-05-1 ]
  • [ 141992-66-7 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 75 percent / Na2CO3 / ethanol / 1 h / Heating 2: 65 percent / CuCl / dioxane / 3 h / 70 °C
  • 23
  • [ 53918-05-1 ]
  • [ 141992-70-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 75 percent / Na2CO3 / ethanol / 1 h / Heating 2: 70 percent / CuCl / dioxane / 3 h / 70 °C
  • 24
  • [ 53918-05-1 ]
  • [ 141992-67-8 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 75 percent / Na2CO3 / ethanol / 1 h / Heating 2: 60 percent / CuCl / dioxane / 3 h / 70 °C
  • 25
  • [ 53918-05-1 ]
  • [ 141992-72-5 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 75 percent / Na2CO3 / ethanol / 1 h / Heating 2: 78 percent / CuCl / dioxane / 3 h / 70 °C
  • 26
  • [ 53918-05-1 ]
  • [ 141992-71-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 75 percent / Na2CO3 / ethanol / 1 h / Heating 2: 75 percent / CuCl / dioxane / 3 h / 70 °C
  • 27
  • [ 53918-05-1 ]
  • [ 141992-77-0 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 65 percent / Na2CO3 / ethanol / 1 h / Heating 2: 73 percent / CuCl / dioxane / 3 h / 70 °C
  • 28
  • [ 53918-05-1 ]
  • [ 141992-68-9 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 75 percent / Na2CO3 / ethanol / 1 h / Heating 2: 76 percent / CuCl / dioxane / 3 h / 70 °C
  • 29
  • [ 53918-05-1 ]
  • [ 141992-76-9 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 65 percent / Na2CO3 / ethanol / 1 h / Heating 2: 75 percent / CuCl / dioxane / 3 h / 70 °C
  • 30
  • [ 53918-05-1 ]
  • [ 141992-69-0 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 75 percent / Na2CO3 / ethanol / 1 h / Heating 2: 80 percent / CuCl / dioxane / 3 h / 70 °C
  • 31
  • [ 53918-05-1 ]
  • [ 141992-73-6 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 65 percent / Na2CO3 / ethanol / 1 h / Heating 2: 62 percent / CuCl / dioxane / 3 h / 70 °C
  • 32
  • [ 53918-05-1 ]
  • [ 141992-74-7 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 65 percent / Na2CO3 / ethanol / 1 h / Heating 2: 78 percent / CuCl / dioxane / 3 h / 70 °C
  • 33
  • [ 53918-05-1 ]
  • [ 141992-75-8 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 65 percent / Na2CO3 / ethanol / 1 h / Heating 2: 76 percent / CuCl / dioxane / 3 h / 70 °C
  • 34
  • [ 1374114-52-9 ]
  • [ 53918-05-1 ]
  • [ 1393752-37-8 ]
YieldReaction ConditionsOperation in experiment
100 %Spectr. With copper(II) sulfate; sodium L-ascorbate; tris[(1-benzyl-1H-1,2,3-triazol-4yl)methyl]amine In water; dimethyl sulfoxide for 8h; 4.3. Construction of the libraries 3 for first screening General procedure: Aqueous solutions of compound 2 (100 mM), sodium ascorbate (66.7 mM), and CuSO4 (100 mM) and dimethylsulfoxide solutions of TBTA (100 mM) and the alkyne compounds (100 mM) were prepared. Each alkyne compound (5 μL) was added to CuSO4 (2.5 μL), TBTA (2.5 μL), compound 2 (5 μL), and sodium ascorbate (35 μL), and the mixture was incubated for 8 h. The yields of the triazole compounds were roughly estimated by comparison between the ESI-MS signal intensity of compound 2 and that of each triazole product 3. The solutions with a greater than 70% yield of the triazole product 3 were used for the following screening assay.
  • 35
  • [ 53918-05-1 ]
  • 2-benzamido-5-(bromomethylidene)-5,6-dihydro[1,3]thiazolo[2,3-b][1,3,4]thiadiazolium bromide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: triethylamine / 1,4-dioxane / 12 h / 20 °C 2: bromine / dichloromethane / 240 h / 0 - 20 °C
  • 36
  • [ 53918-05-1 ]
  • 2-benzamido-5-(bromomethylidene)-5,6-dihydro[1,3]thiazolo[2,3-b][1,3,4]thiadiazolium bromide [ No CAS ]
  • N-[5-(2,3-dibromoprop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: triethylamine / 1,4-dioxane / 12 h / 20 °C 2: bromine / 1,4-dioxane / 48 h / 0 - 20 °C
  • 37
  • [ 53918-05-1 ]
  • 2-benzamido-5-(iodomethylidene)-5,6-dihydro-[1,3]thiazolo[2,3-b][1,3,4]thiadiazol-4-ium iodide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: triethylamine / 1,4-dioxane / 12 h / 20 °C 2: iodine / 1,4-dioxane / 20 °C
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