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Chemical Structure| 1252914-52-5 Chemical Structure| 1252914-52-5

Structure of 1252914-52-5

Chemical Structure| 1252914-52-5

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Product Details of [ 1252914-52-5 ]

CAS No. :1252914-52-5
Formula : C18H13NS
M.W : 275.37
SMILES Code : C12=C(C=CC=C1C3=CC=CC=C3S2)NC4=CC=CC=C4
MDL No. :MFCD31556231

Safety of [ 1252914-52-5 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319
Precautionary Statements:P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Application In Synthesis of [ 1252914-52-5 ]

* 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 [ 1252914-52-5 ]

[ 1252914-52-5 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 67665-47-8 ]
  • [ 1252914-52-5 ]
  • C61H38N2S2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
44% With tri-tert-butyl phosphine; potassium tert-butylate; palladium diacetate; In toluene; at 100℃; for 20h;Schlenk technique; Inert atmosphere; Sealed tube; A stirrer,N-phenyldibenzo [b, d] thiophene-4-amine (0.55 g, 2.0 mmol) was added to a 100 mL Schlenk flask purged with argon,<strong>[67665-47-8]2,2'-dibromo-9,9'-spirobifluorene</strong> (0.47 g, 1.0 mmol),Palladium acetate (9.0 mg, 0.04 mmol),Toluene (40 mL), tri-t-butylphosphine (8.1 mg,0.04 mmol) and potassium t-butoxide (0.22 g, 2.0 mmol) were put in a reaction vessel and sealed,And the mixture was stirred at 100 ° C. for 20 hours. Thereafter, the reaction vessel was allowed to cool to near room temperature,Open the lid and put water (30 mL) into it. Transfer contents to a separating funnel,After separating the organic phase and aqueous phase, the aqueous phase was removed and the organic phase was washed with water.The organic phase was dried over sodium sulfate. after that,The sodium sulfate was removed by filtration and the organic phase was concentrated.The concentrated mixture was purified by silica gel column chromatography (developing solvent: hexane / dichloromethane = 3/1)To obtain a target compound represented by the above general formula (6)(Yield 0.38 g, yield 44.0percent).
  • 2
  • [ 1252914-52-5 ]
  • [ 171408-84-7 ]
  • C61H38N2S2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
54.5% With tri-tert-butyl phosphine; potassium tert-butylate; palladium diacetate; In toluene; at 100℃; for 20h;Schlenk technique; Inert atmosphere; Sealed tube; A stirrer,N-phenyldibenzo [b, d] thiophene-4-amine (0.55 g, 2.0 mmol) was added to a 100 mL Schlenk flask purged with argon,2,7-Dibromo-9,9'-spirobifluorene (0.47 g, 1.0 mmol),Palladium acetate (9.0 mg, 0.04 mmol), toluene (40 mL), tri-t-butylphosphine (8.1 mg, 0.04 mmol)And potassium t-butoxide (0.22 g, 2.0 mmol) were charged,After sealing, the mixture was stirred at 100 ° C. for 20 hours. after that,The reaction vessel was allowed to cool to near room temperature, the lid was opened, and water (30 mL) was added thereto.The contents were transferred to a separating funnel, the organic phase and the aqueous phase were separated, the aqueous phase was removed,The organic phase was further washed with water. The organic phase was dried over sodium sulfate. after that,The sodium sulfate was removed by filtration and the organic phase was concentrated.The concentrated mixture was purified by silica gel column chromatography (developing solvent: hexane / dichloromethane = 3/1)To obtain a target compound represented by the above general formula (5)(Yield 0.47 g, yield 54.5percent).
  • 3
  • [ 10016-52-1 ]
  • [ 1252914-52-5 ]
  • C48H30N2OS2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
54% 2.75 g (10 mmol) of 4-phenylaminodibenzothiophene, 1.63 g (5.0 mmol) of <strong>[10016-52-1]2,8-dibromodibenzofuran</strong>, 2.5 g (26 mmol) of sodium t-butoxide in a 50 ml four-necked flask,50 ml of dehydrated toluene was added and nitrogen bubbling was performed for 1 hour. Then, 3460 mg (0.5 mmol) of Pd2 (dba),290 mg (1.0 mmol) of tri-t-butylphosphonium tetrafluoroborate (t-Bu3PH + BF4-) was added, and the mixture was heated under reflux for 53 hours while stirring under a nitrogen stream. The formation of the desired product was confirmed by TLC and MS. The reaction solution was cooled to room temperature, and the organic layer was extracted with toluene, washed with brine, dried over anhydrous magnesium sulfate, filtered and concentrated to obtain a brown viscous product. The obtained viscous material was dissolved in 10 ml of toluene and packed in a column. The resultant was directly purified by silica gel column chromatography (developing solvent: toluene / hexane = 1/4) to obtain the desired product.Yield 1.92g, 54%
 

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