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Chemical Structure| 1015473-19-4 Chemical Structure| 1015473-19-4

Structure of 1015473-19-4

Chemical Structure| 1015473-19-4

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Product Details of [ 1015473-19-4 ]

CAS No. :1015473-19-4
Formula : C40H41BrN2O4
M.W : 693.67
SMILES Code : BrC1=C(C2=CC=C3C(N4CC(CCCC)CC)=O)C5=C6C(C(N(CC(CCCC)CC)C(C6=CC=C5C(C2=C37)=CC=C7C4=O)=O)=O)=C1
MDL No. :N/A
InChI Key :YZYKBMYMJDIUCL-UHFFFAOYSA-N
Pubchem ID :101575106

Safety of [ 1015473-19-4 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319
Precautionary Statements:P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Application In Synthesis of [ 1015473-19-4 ]

* 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 [ 1015473-19-4 ]

[ 1015473-19-4 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 1015473-19-4 ]
  • [ 851786-15-7 ]
  • N,N'-bis(2-ethylhexyl)-1,6-dibromoperylene-3,4:9,10-tetracarboxylic acid diimide [ No CAS ]
  • 2
  • [ 82531-03-1 ]
  • [ 851786-15-7 ]
  • [ 1015473-19-4 ]
  • 3
  • [ 1015473-19-4 ]
  • [ 216019-28-2 ]
  • 5-(3-isopropylphenyl)-2,9-bis(2-ethylhexyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)tetrone [ No CAS ]
YieldReaction ConditionsOperation in experiment
80% With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate; In 1,2-dimethoxyethane; at 80℃; for 5h;Inert atmosphere; 5-Bromo-2,9-bis(2-ethylhexyl)-anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone(Br-PDI) (300 mg, 0.43 mmol), 3-isopropylphenylboronic (78 mg, 0.48 mmol), and [1,1?-bis(diphenylphosphino)ferrocene]dichloropalladium(II) (Pd(dppf)Cl2) (13.2 mg, 0.018 mmol) were suspended in 1,2-dimethoxyethane (20 mL) in a sealed flask in the glove box. Then the sealed flask was taken out from the glove box and 10 mL of 1.0 mol L-1 potassium carbonate solution (oxygen was removed) was added in it. The reaction mixture was intensively stirred under nitrogen atmosphereat 80 C for 5 h. The reaction mixture was allowed to cool to ambient temperature and 20 mL of water was added. The reaction mixture was extracted with dichloromethane (3 x 20 mL). The organic layers were combined, washed with water (2 x 10 mL) and dried over anhydrous sodium sulfate and evaporated. Purification was done by silica gel column chromatography using n-hexane/CHCl3/EtOAc (7:1:1) as eluent to give 5-(3-isopropylphenyl)-2,9-bis(2-ethylhexyl)-anthra[2,1,9-def:6,5,10-d'e' f']diisoquinoline-1,3,8,10(2H,9H)-tetrone (3-iPP-PDI) as an aubergine powder (0.253 g, 80%). 3-iPP-PDI: 1H NMR (400 MHz, CDCl3): delta = 8.68-8.60 (m, 2H), 8.5 (m, 3H), 8.06 (d, J = 8.4 Hz, 1H), 7.78 (d, J = 8.0 Hz, 1H), 7.45 (t, 1H), 7.36 (d, J = 8.0 Hz, 1H), 7.31 (s, 1H), 7.25 (d, J = 7.2 Hz,1H), 4.10 (m, 4H), 2.94 (m, 1H), 1.93 (m, 2H), 1.41-1.32 (m, 22H), 0.86-0.76 (m, 12H) ppm. 13C NMR (100 MHz, CDCl3): delta = 163.85, 163.73, 163.60, 151.39, 142.36, 142.17, 136.08, 134.71, 134.36, 132.40, 130.93, 130.73, 130.47, 129.99, 129.92, 128.85, 127.91, 127.39, 126.43, 125.71, 123.37, 123.15, 123.03, 122.54, 122.12, 122.09, 44.32, 44.24, 38.00, 37.94, 34.23, 30.81, 30.74, 29.71, 28.76, 28.68, 24.11, 24.07, 23.09, 14.13, 14.11, 10.66, 10.64 ppm. MS (MALDI-TOF-MS): Calculated for C49H52N2O4, 732.4; Found, 732.3. HRMS: Calculated for C49H53N2O4 [M+H]+, 733.4000; Found, m/z = 733.4000.
 

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