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Chemical Structure| 583050-70-8 Chemical Structure| 583050-70-8

Structure of 583050-70-8

Chemical Structure| 583050-70-8

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Product Details of [ 583050-70-8 ]

CAS No. :583050-70-8
Formula : C30H40S2
M.W : 464.77
SMILES Code : CCCCCCCCC1=CC=C(C2=C(C3=CC=C(CCCCCCCC)C=C3S2)S4)C4=C1
MDL No. :MFCD28016330
InChI Key :YWIGIVGUASXDPK-UHFFFAOYSA-N
Pubchem ID :59181286

Safety of [ 583050-70-8 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 583050-70-8 ]

* 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 [ 583050-70-8 ]

[ 583050-70-8 ] Synthesis Path-Downstream   1~6

  • 1
  • [ 1003601-92-0 ]
  • [ 583050-70-8 ]
YieldReaction ConditionsOperation in experiment
82% With palladium on carbon; hydrogen; In toluene; for 8.0h; The compound (300 mg, 0.66 mmol) represented by the formula (5) above and obtained in Synthesis Example 1 and Pd/C (70 mg) were added to anhydrous toluene (10 mL). The reaction mixture was reduced in pressure by an aspirator and purged with hydrogen. This operation was repeated several times and then the reaction mixture was stirred for 8 hours. After completion of the reaction, the solvent was distilled away. Purification was performed by column chromatography (silica gel, hexane, Rf = 0.6) (yield: 286 mg, yield coefficient: 94%) and recrystallization was performed from hexane to obtain the desired compound represented by the formula (6) above in the form of colorless powdery solid substance (yield: 250 mg, yield coefficient: 82%). This compound is the compound of Compound No. 16 of Table 1 above. 1H-NMR (400 MHz, CDCl3) : delta 7.75 (d, J=8.2 Hz, 2H), 7.68 (d, J=1.5 Hz, 2H), 7.26 (dd, J=8.2, 1.5 Hz, 2H), 2.74 (t, J=7.7, 4H), 1.69 (q, 4H), 1.27-1.34 (m, 20H), 0.88 (t, J=6.7 Hz, 6H); 13C-NMR (400 MHz, CDCl3): 142.4, 140.0, 132.5, 131.1, 125.8, 123.3, 121.0, 36.1, 31.9, 31.7, 29.5, 29.33, 29.27, 22.68, 14.1; MS (70ev, DI) m/z=464 (M+); mp 112-113C; Anal. Calcd for C30H40S2: C, 77.53; H, 8.67 Found: C, 77.39; H, 8.67
  • 3
  • [ 583050-70-8 ]
  • [ 80418-18-4 ]
  • C30H40S2*C12H8N4 [ No CAS ]
  • 4
  • [ 583050-70-8 ]
  • C12H6F2N4 [ No CAS ]
  • C30H40S2*C12H6F2N4 [ No CAS ]
  • 5
  • [ 583050-70-8 ]
  • C12H4F4N4 [ No CAS ]
  • C30H40S2*C12H4F4N4 [ No CAS ]
  • 6
  • 2,7-(1-octynyl)[1]benzothieno[3,2-b][1]benzothiophene [ No CAS ]
  • [ 583050-70-8 ]
YieldReaction ConditionsOperation in experiment
78% With palladium 10% on activated carbon; hydrogen; In toluene; at 20℃; for 10.0h;Schlenk technique; To a 100-ml Schlenk reaction container, 286 mg (0.626mmol) of 2,7-(1-octynyl)[1]benzothieno[3,2-b][1]benzothiophene, 10%Pd/C(made by Wako Pure Chemical Industries) 62mg and 10 ml of toluene (Wako Pure Chemical Industries drying grade) were added. After attaching the hydrogen balloon and repeating the decompression-hydrogen substitution by an aspirator 3 times, it stirred at the room temperature for 10 hours. The solvent was distilled off under reduced pressure, silica gel column chromatography refined residue (hexane), recrystallization refining was carried out twice from hexane (Wako Pure Chemical Industries pure grade), and 227 mg of white solids of di-n-octyl benzothienobenzothiophene were obtained (78% of yield).
 

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