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Chemical Structure| 19552-10-4 Chemical Structure| 19552-10-4

Structure of 19552-10-4

Chemical Structure| 19552-10-4

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Product Details of [ 19552-10-4 ]

CAS No. :19552-10-4
Formula : C7H7BrS
M.W : 203.10
SMILES Code : SCC1=CC=C(Br)C=C1
MDL No. :MFCD03701566
InChI Key :CUCKXDPCCYHFMQ-UHFFFAOYSA-N
Pubchem ID :271218

Safety of [ 19552-10-4 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301+H311+H331-H315-H319
Precautionary Statements:P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
Class:6.1
UN#:2810
Packing Group:

Application In Synthesis of [ 19552-10-4 ]

* 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 [ 19552-10-4 ]

[ 19552-10-4 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 22737-36-6 ]
  • [ 19552-10-4 ]
  • [ 252742-72-6 ]
  • [ 935760-75-1 ]
YieldReaction ConditionsOperation in experiment
88% With potassium carbonate; In tetrahydrofuran; N,N-dimethyl-formamide; at 20℃; for 12h; Reference Example 108; 5-([(4-bromophenyl)methyl]thio}methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one; [Show Image] To a solution of 5-(chloromethyl) -2,4-dihydro-3H-1,2,4-triazol-3-one obtained according to the methods described in Tetrahedron Letter, 2000, 41, 8661 and the like (2.00 g, 15.0 mmol), (4-bromophenyl)methanethiol (3.04 g, 15.0 mmol) and potassium carbonate (2.48 g, 0.369 mmol) in THF (4 mL) was added a suspension of O-(trimethylsilyl)hydroxylamine (0.271 mL, 18.0 mmol) in DMF (40 mL) at room temperature, and the mixture was stirred at room temperature for 12 hr. Water was added to the reaction mixture, and the precipitated solid was collected by filtration. The solid was washed with water and diethyl ether to give the title compound as a white powder (3.97 g, 88percent). 1H-NMR (300MHz, DMSO-d6) delta: 3.36 (2H, s), 3.70 (2H, s), 7.28 (2H, d, J = 8.3 Hz), 7.52 (2H, d, J = 8.3 Hz), 11.29 (1H, br), 11.39 (1H, br).
  • 2
  • [ 19552-10-4 ]
  • [ 252742-72-6 ]
  • [ 935760-75-1 ]
YieldReaction ConditionsOperation in experiment
88% With potassium carbonate; In N,N-dimethyl-formamide; at 20℃; for 12h; A mixture of <strong>[252742-72-6]5-(chloromethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one</strong> (30, 2.00 g, 15.0 mmol, synthesized by the method of Cowden et al. 59), (4-bromophenyl)methanethiol (3.04 g, 15.0 mmol), and K2CO3 (2.48 g, 18.0 mmol) in DMF (40 mL) was stirred at room temperature for 12 h. After H2O was added to the reaction mixture, the precipitated solid was collected and washed with H2O and diethyl ether to give the title compound as a white powder (3.97 g, 13.2 mmol, 88percent). 1H NMR (300 MHz, DMSO-d6) d 3.36 (2H, s), 3.70 (2H, s), 7.28 (2H, d, J = 8.3 Hz), 7.52 (2H, d, J = 8.3 Hz), 11.29 (1H, br s), 11.39 (1H, br s).
 

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