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Structure of 1361019-05-7

Chemical Structure| 1361019-05-7

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Product Details of [ 1361019-05-7 ]

CAS No. :1361019-05-7
Formula : C4H4Br2N2
M.W : 239.90
SMILES Code : CN1N=C(Br)C=C1Br
MDL No. :MFCD28399417
InChI Key :KFOQLTKNWNGAHL-UHFFFAOYSA-N
Pubchem ID :66614131

Safety of [ 1361019-05-7 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338

Application In Synthesis of [ 1361019-05-7 ]

* 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.

  • Upstream synthesis route of [ 1361019-05-7 ]
  • Downstream synthetic route of [ 1361019-05-7 ]

[ 1361019-05-7 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 1361019-05-7 ]
  • [ 74-88-4 ]
  • [ 5744-80-9 ]
YieldReaction ConditionsOperation in experiment
88%
Stage #1: With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.5 h; Inert atmosphere
Stage #2: at 20℃; for 10 h; Inert atmosphere
To a solution of 23 (11.9 g, 50 mmol) in THF (150 mL) was added n-BuLi (22 mL, 55 mmol, 2.5M in hexane) at −78 °C. After being stirred at −78 °C for 0.5 h under argon, iodomethane (8.9 g, 62.5 mmol) was added to the reaction mixture. The mixture was stirred at room temperature for 10 h under argon. To the mixture was added H2O, and extraction was done twice with EtOAc. The organic layer was washed with brine, dried over anhydrous sodium sulfate, and the solvent was evaporated under reduced pressure. The residue was purified by silicagel column chromatography (EtOAc/hexane=0:10 to 1:2) to give 19c(7.7 g, 88percent) as a pale yellow oil. MS (ESI) m/z: 174.8 [M+H]+.
References: [1] Bioorganic and Medicinal Chemistry, 2019, vol. 27, # 8, p. 1562 - 1576.
 

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