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[ CAS No. 1147124-23-9 ]

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Chemical Structure| 1147124-23-9
Chemical Structure| 1147124-23-9
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CAS No. :1147124-23-9 MDL No. :MFCD28125575
Formula : C32H40Br2N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W :644.48 g/mol Pubchem ID :-
Synonyms :

Safety of [ 1147124-23-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1147124-23-9 ]

  • Upstream synthesis route of [ 1147124-23-9 ]
  • Downstream synthetic route of [ 1147124-23-9 ]

[ 1147124-23-9 ] Synthesis Path-Upstream   1~4

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YieldReaction ConditionsOperation in experiment
90% With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 15 h; Inert atmosphere In a vacuum atmosphere under an atmosphere of inert gas, 6,6-dibromoisoindole (Compound 3, 1.0 g, 2.93 mmol) and freshly dried potassium carbonate (2.43 g, 17.59 mmol) were added to a 100 ml three-necked flask. Anhydrous DMF (20 mL) followed by 1-bromo-2-ethylhexane (1.70 g, 8.79 mmol) was added to the resulting suspension. The mixture was heated to 100° C. and stirred for 15 hours then poured into water (500 mL). The organic phase was extracted with CH 2 Cl 2 , washed with brine, dried over MgSO 4 and the solvent was removed under reduced pressure. The dark red solid was purified by chromatography on silica. This was eluted with (CH2Cl2:hexane=2:3, volume ratio) to give 1.37 g of a brown solid (Compound 5) in a 90percent yield.
79% With potassium carbonate In N,N-dimethyl-formamide at 100℃; Inert atmosphere c) 7 g (16.6 mmol, 1 eq) of 2, 8 g (41.7mmol, 2.5 eq) of 1-bromo-2-ethylhexane and 13.9 g (100 mmol, 6 eq) of K2CO3 are stirred in DMF (200mL) under nitrogen overnight at 100° C. Then the mixture is poured in water and the solid filtrated and washed several times with water and ethanol. The solid is dissolved in a minimum of chloroform and precipitated in ethanol to yield 8.45 g of pure 4 as a red-violet powder.Yield 79percent;RMN 1H (CDCl3, δ ppm): 0.89 (m, 12H), 1.2-1.5 (m, 16H), 1.90 (m, 2H), 3.610 (m, 4H), 6.91 (d, 2H, J=1.76 Hz), 7.16 (dd, 2H, J=8.50, 1.76 Hz), 9.07 (d, 2H, J=8.50 Hz).
54.5%
Stage #1: With tetrabutylammomium bromide; potassium carbonate In N,N-dimethyl-formamide at 80℃; for 0.5 h; Inert atmosphere
Stage #2: Inert atmosphere
To a solution of 6,6'-dibromo-isoindigo (2.0 g, 4.76 mmol) in N,N-dimethyl formamide (DMF, 100 mL), tetrabutylammoniumbromide (0.1 g) and K2CO3 (3.95 g, 28.56 mmol) were added quickly under argon atmosphere. The mixture was stirred at 80 °C for 30 min, then the solution of 1-bromo-2-ethylhexane (2.30 g,11.90 mmol) in DMF (30 mL) was added. The mixture was stirred overnight. After cooling to room temperature, it was filtered, and the filtrate was extracted by CH2Cl2 and washed with brine. The organic layer was dried over anhydrous magnesium sulfate, andthen filtered. After removed the solvent by a rotary evaporator, the crude product was obtained, and it was further purified by column chromatography using petroleum ether/CH2Cl2 (3:1, v:v) as the eluent to yield a dark red solid (1.68 g, 54.5percent). 1H NMR (400 MHz,CDCl3, d/ppm):9.04 (d, J 8.5 Hz, 2H), 7.16 (dd, J1 1.4 Hz,J2 8.5 Hz, 2H), 6.90 (d, J 1.4 Hz, 2H), 3.63 (m, 4H), 1.84e1.81 (m,2H), 1.43e1.26 (m, 16H), 0.95e0.91 (m, 12H). 13C NMR (100 MHz,CDCl3, d/ppm): 168.07, 146.15, 132.55, 131.01, 126.69, 125.12, 120.36,111.54, 44.37, 37.43, 30.58, 28.58, 23.99, 23.08, 14.09, 10.66. FT-ICRMS (C32H40Br2N2O2) [M] m/z:calcd for 643.1529; found643.1530. Elemental anal. calcd. for (C32H40Br2N2O2): C, 59.64; H,6.26; N, 4.35. Found: C, 59.48; H, 6.34; N, 4.38.
Reference: [1] Patent: CN107739374, 2018, A, . Location in patent: Paragraph 0032; 0035; 0036
[2] Organic Letters, 2010, vol. 12, # 4, p. 660 - 663
[3] Macromolecules, 2010, vol. 43, # 20, p. 8348 - 8352
[4] Patent: US2010/297405, 2010, A1, . Location in patent: Page/Page column 20
[5] Dyes and Pigments, 2017, vol. 139, p. 403 - 411
[6] New Journal of Chemistry, 2013, vol. 37, # 2, p. 502 - 507
[7] Journal of Polymer Science, Part A: Polymer Chemistry, 2013, vol. 51, # 16, p. 3477 - 3485
[8] Chemistry Letters, 2014, vol. 43, # 12, p. 1870 - 1872
[9] RSC Advances, 2015, vol. 5, # 104, p. 85460 - 85469
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Reference: [1] Organic Letters, 2010, vol. 12, # 4, p. 660 - 663
  • 3
  • [ 6326-79-0 ]
  • [ 1147124-23-9 ]
Reference: [1] Journal of Polymer Science, Part A: Polymer Chemistry, 2013, vol. 51, # 16, p. 3477 - 3485
[2] Chemistry Letters, 2014, vol. 43, # 12, p. 1870 - 1872
[3] RSC Advances, 2015, vol. 5, # 104, p. 85460 - 85469
[4] Patent: CN107739374, 2018, A,
  • 4
  • [ 99365-40-9 ]
  • [ 1147124-23-9 ]
Reference: [1] Chemistry Letters, 2014, vol. 43, # 12, p. 1870 - 1872
[2] Patent: CN107739374, 2018, A,
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