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Chemical Structure| 77514-31-9 Chemical Structure| 77514-31-9

Structure of 77514-31-9

Chemical Structure| 77514-31-9

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Product Details of [ 77514-31-9 ]

CAS No. :77514-31-9
Formula : C9H5Br2N
M.W : 286.95
SMILES Code : BrC1=CC=C2N=C(Br)C=CC2=C1
MDL No. :MFCD09261124

Safety of [ 77514-31-9 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H332-H335
Precautionary Statements:P280-P305+P351+P338-P310

Application In Synthesis of [ 77514-31-9 ]

* 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 [ 77514-31-9 ]

[ 77514-31-9 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 77514-31-9 ]
  • [ 791626-58-9 ]
  • bis(6-bromoquinolin-2-yl)amine [ No CAS ]
YieldReaction ConditionsOperation in experiment
88.2% With palladium diacetate; bis[2-(diphenylphosphino)phenyl] ether; sodium t-butanolate; In toluene; at 110℃; for 5h;Schlenk technique; Inert atmosphere; To a re-sealable Schlenk tube was charged with bis(2-diphenylphosphinophenyl) ether (0.3016g, 0.560mmol, 4% mmol), 4 (3.28g, 14.7mmol), 2,6-diboromoquinoline 3 (4.00g, 14.0mmol), t-BuONa (1.88g, 19.6mmol), and degassed dry toluene (120mL). The Schlenk tube was capped and carefully subjected to three cycles of evacuation-backfilling with N2. Finally, Pd(OAc)2 (0.1258g, 0.560mmol, 4% mmol) was added. It was then sealed and immersed into a 110C oil bath. After 5h reflux, the mixture was cooled to r.t., diluted with THF and ethyl ether, filtered, concentrated, and purified by silica gel column chromatography (2% MeOH/CH2Cl2) to afford the product. White solid (5.30g, 88.2% yield), m.p. 237-238C. 1H NMR (400MHz, DMSO-d6) δ (ppm): 10.63 (s, 1H), 8.26 (s, 4H), 8.13 (d, J=2.0Hz, 2H), 7.81-7.72 (m, 4H). 13C NMR (101MHz, CDCl3) δ (ppm): 152.63, 145.85, 137.08, 133.19, 129.56, 128.81, 126.08, 117.55, 114.84. TOF-MS (ES+) calcd. for C18H11Br2N3 [M+1]+: 427.9, found 428.1. Elemental analysis calcd. (%) for C18H11Br2N3: C, 50.38; H, 2.58; N, 9.79, found C, 50.08; H, 2.53; N, 10.15.
  • 2
  • [ 77514-31-9 ]
  • [ 98-80-6 ]
  • [ 3894-25-5 ]
 

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