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Chemical Structure| 155863-32-4 Chemical Structure| 155863-32-4

Structure of 155863-32-4

Chemical Structure| 155863-32-4

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Product Details of [ 155863-32-4 ]

CAS No. :155863-32-4
Formula : C8H6BrNS
M.W : 228.11
SMILES Code : S=C=NC1=CC=C(CBr)C=C1
MDL No. :MFCD08702661
InChI Key :NSQGUALFBVTBHL-UHFFFAOYSA-N
Pubchem ID :10242862

Safety of [ 155863-32-4 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301-H314-H317-H334
Precautionary Statements:P260-P264-P270-P272-P280-P284-P301+P310+P330-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310-P333+P313-P342+P311-P362+P364-P405-P501
Class:8(6.1)
UN#:2923
Packing Group:

Application In Synthesis of [ 155863-32-4 ]

* 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 [ 155863-32-4 ]

[ 155863-32-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 68631-52-7 ]
  • [ 155863-32-4 ]
  • diethyl 4-((4-isothiocyanatobenzyl)oxy)pyridine-2,6-dicarboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
53% All starting materials and reagents were dried under vacuum. First, 1.0 g (4.2 mmol, 1 equiv.) of compound 4 was dissolved in 70 mL of dry N,N-dimethylformamide (DMF) in a round-bottom flask. Then, 2.7 g (8.3 mmol, 2 equiv.) of Cs2CO3 was added. The mixture was stirred for 30 min at room temperature. Then, 1.42 g (6.2 mmol, 1.5 equiv.) of compound 5 was dissolved in 6 mL of dry DMF and added dropwise. The mixture was stirred for 2 h at room temperature. The reaction mixture was filtered and DMF was removed. The crude product was dissolved in DCM, filtered, and dried. The product was isolated as a white solid (0.85 g (53%)) by column chromatography with chloroform/ethyl acetate 9/1 (v/v). 1H NMR (400 MHz, DMSO-d6) delta 7.81 (s, 2H), 7.57 (d, J = 8.6 Hz, 2H), 7.49 (d, J = 8.6 Hz, 2H), 5.39 (s, 2H), 4.37 (q, J = 7.1 Hz, 4H), 1.33 (t, J = 7.1 Hz, 6H). 13C NMR (100 MHz,DMSO-d6) delta 166.0, 164.1, 149.7, 135.5, 133.6, 129.8, 129.3, 126.2, 114.4, 69.3, 61.7, 14.1.
 

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