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Chemical Structure| 97109-46-1 Chemical Structure| 97109-46-1

Structure of 97109-46-1

Chemical Structure| 97109-46-1

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Product Details of [ 97109-46-1 ]

CAS No. :97109-46-1
Formula : C3H3BrN2S2
M.W : 211.10
SMILES Code : CSC1=NN=C(Br)S1
MDL No. :MFCD19689420

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Application In Synthesis of [ 97109-46-1 ]

* 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 [ 97109-46-1 ]

[ 97109-46-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 5319-77-7 ]
  • [ 97109-46-1 ]
YieldReaction ConditionsOperation in experiment
70% With tert.-butylnitrite; copper(ll) bromide; In acetonitrile; at 20℃; for 2h; Preparation of compound 11a: 2-bromo-5-(methylthio)-l,3,4-thiadiazoleTo a solution of MeCN (350 mL) was added CuBr2 (67 g, 300 mmol) at RT. The mixture was cooled to 0-5 C and tert-butyl nitrite (72.5 mL, 535 mmol) was added dropwise. The mixture was stirred for 5 min and 2-amino-5-(methylthio)-l ,3,4-thiadiazole la (35 g , 238 mmol) was added. The reaction was stirred at RT for 2h. EtOAc(525 mL) was added to the mixture and the reaction was quenched with 10% aq. NH4C1 (350 mL) and 2% aq.NH3 (175 mL) solution. The layers were separated and the aqueous layer was extracted with EtOAc. The combined organic layers were dried, filtered and concentrated. The residue was purified with silica gel chromatography (eluting with 5% EtOAc in Hex) to give 2-bromo-5-(methylthio)-l ,3,4-thiadiazole (35 g, 70%) as a yellow solid. MS (ESI, pos. ion) m/z: 212.8 (M+l).
 

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