[ CAS No. 955964-73-5 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 955964-73-5
Chemical Structure| 955964-73-5
Structure of 955964-73-5

Quality Control of [ 955964-73-5 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 955964-73-5 ]

SDS

Product Details of [ 955964-73-5 ]

CAS No. :955964-73-5MDL No. :MFCD16619379
Formula :C29H41Br2NBoiling Point :595°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :563.45Pubchem ID :53400972
Synonyms :

Computed Properties of [ 955964-73-5 ]

TPSA : 4.9 H-Bond Acceptor Count : 0
XLogP3 : 12.6 H-Bond Donor Count : 0
SP3 : 0.59 Rotatable Bond Count : 15

Safety of [ 955964-73-5 ]

Signal Word:WarningClassN/A
Precautionary Statements:P305+P351+P338UN#:N/A
Hazard Statements:H315-H319Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 955964-73-5 ]

  • Upstream synthesis route of [ 955964-73-5 ]
  • Downstream synthetic route of [ 955964-73-5 ]

[ 955964-73-5 ] Synthesis Path-Upstream   1~6

  • 1
  • [ 136630-39-2 ]
  • [ 955964-73-5 ]
YieldReaction ConditionsOperation in experiment
90%
Stage #1: With potassium hydroxide In dimethyl sulfoxide at 80℃; for 1.00 h;
Stage #2: Heating
9-Heptadecanyl-2,7-dibromocarbazole (9): 2,7-dibromo-9-H-carbazole (4 g, 12 mmol) and potassium hydroxide (0.84 g, 17.8 mmol) were solubilized in dry DMSO (40 mL). The reaction mixture was heated at 80 °C for 1 h before adding dropwise a solution of 9-Heptadecane p-toluenesulfonate (6.4 g, 15.6 mmol) in 60 mL of dry DMSO. After cooling down at room temperature, the reaction mixture was poured into 300 mL of water and extracted three times with 100 mL of diethylether, dried over magnesium sulfate and the solvent was removed under vacuum. The white powder was purified by flash chromatography in cyclohexane to afford white crystals (yield: 90percent). 1H NMR (400 MHz, CDCl3): δ (ppm) 7.5 (s, 2H); 7.27 (s, 2H); 7.12 (m, 2H), 4.48 (tt, J = 10.1, 5.1 Hz, 1H); 2.20 (m, 2H); 1.83 (m, 2H) 1.32-1.02 (m, 28H); 0.83 (t, J = 7.0 Hz, 6H). 13C NMR (100 MHz, CDCl3): δ (ppm) 125.61; 125.23; 120.43; 118.54; 111.70, 108.87, 56.43; 33.85; 31.89; 29.53; 29.43; 29.30; 26.94; 22.73; 14.20. HRMS (EI+, m/z) [M]+ calculated (percent) for C29H41Br2N: 561.16057, found 561.16261.
78% With potassium hydroxide In dimethyl sulfoxide for 24.00 h; After loading the compound f-2 (1g) To a round flask, place the compound 4-f (1.9g, 1.5eq). And after inserting the KOH (1g, 5eq) above, it is injected DMSO as a solvent. And then stirred for 24 hours, the organic layer was extracted with MC and the salt water to remove the remaining water over anhydrous magnesium sulfate and, after evaporation of the solvent was recrystallized from a MC and MeOH as a white solid 2,7-dibromo-9- (heptadecane and the -9-yl) -9H-carbazole (compound f-5) obtained. (Yield: 78percent)
Reference: [1] Polymer, 2017, vol. 119, p. 274 - 284
[2] Macromolecules, 2010, vol. 43, # 22, p. 9376 - 9383
[3] Patent: KR101495152, 2015, B1. Location in patent: Paragraph 0164; 0177-0178
[4] Journal of the American Chemical Society, 2012, vol. 134, # 46, p. 19035 - 19042
[5] Journal of Polymer Science, Part A: Polymer Chemistry, 2015, vol. 53, # 17, p. 2059 - 2068
[6] Macromolecules, 2012, vol. 45, # 21, p. 8658 - 8664
  • 2
  • [ 624-08-8 ]
  • [ 955964-73-5 ]
Reference: [1] Journal of the American Chemical Society, 2012, vol. 134, # 46, p. 19035 - 19042
[2] Patent: KR101495152, 2015, B1
[3] Polymer, 2017, vol. 119, p. 274 - 284
  • 3
  • [ 92-86-4 ]
  • [ 955964-73-5 ]
Reference: [1] Patent: KR101495152, 2015, B1
[2] Polymer, 2017, vol. 119, p. 274 - 284
  • 4
  • [ 439797-69-0 ]
  • [ 955964-73-5 ]
Reference: [1] Patent: KR101495152, 2015, B1
[2] Polymer, 2017, vol. 119, p. 274 - 284
  • 5
  • [ 111-83-1 ]
  • [ 955964-73-5 ]
Reference: [1] Polymer, 2017, vol. 119, p. 274 - 284
  • 6
  • [ 17049-49-9 ]
  • [ 955964-73-5 ]
Reference: [1] Journal of the American Chemical Society, 2012, vol. 134, # 46, p. 19035 - 19042
[2] Patent: KR101495152, 2015, B1
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