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Chemical Structure| 40102-86-1 Chemical Structure| 40102-86-1

Structure of 40102-86-1

Chemical Structure| 40102-86-1

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Product Details of [ 40102-86-1 ]

CAS No. :40102-86-1
Formula : C13H6Br2OS
M.W : 370.06
SMILES Code : O=C1C2=C(SC3=C1C=C(Br)C=C3)C=CC(Br)=C2
MDL No. :MFCD32880073
InChI Key :MIGPGZSVGPGCCR-UHFFFAOYSA-N
Pubchem ID :13979436

Safety of [ 40102-86-1 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338

Application In Synthesis of [ 40102-86-1 ]

* 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 [ 40102-86-1 ]

[ 40102-86-1 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 40102-86-1 ]
  • [ 1036378-83-2 ]
  • [ 1375600-86-4 ]
YieldReaction ConditionsOperation in experiment
55% With sodium carbonate;tetrakis(triphenylphosphine) palladium(0); In ethanol; water; toluene; for 3h;Inert atmosphere; Reflux; Synthesis of illustrative compound A-5[0120][0121] A 200-mL recovery flask was charged with the following reagents and solvents:F-1: 1.85 g (5 mmol)F-4: 4.3 g (12 mmol)Tetrakis (triphenylphosphine) palladium ( 0 ) : 137 mg (0.12 mmol) Toluene: 50 mLEthanol: 20 mLSodium carbonate aqueous solution (concentration: 30% by weight) : 30 mL[0122] Then, the atmosphere inside the reaction system wasreplaced by a nitrogen atmosphere, and thereafter, the reaction solution was stirred under refluxing for 3 hours. After the completion of the reaction, water was added to the reaction solution and further stirred, and a deposited crystal was filtered out. Then, thecrystal was washed with water, ethanol and acetone successively to obtain a crude product. Then, the crude product was heated and dissolved in chlorobenzene, and hot filtered, and thereafter, recrystallized twice with a chlorobenzene solvent to obtain a purified crystal. Then, the obtained crystal was vacuum dried at 100C, and thereafter, refined by sublimation under the conditions of 1 x 10"4 Pa and 380C to obtain 1.8 g of high-purity illustrative compound A-5 (yield: 55%) .[0123] [MALDI-TOF-MS]Observed value: m/z = 668.22, calculated value: 668.84
  • 2
  • [ 40102-86-1 ]
  • [ 654664-63-8 ]
  • [ 1375600-89-7 ]
YieldReaction ConditionsOperation in experiment
50% With sodium carbonate;tetrakis(triphenylphosphine) palladium(0); In ethanol; water; toluene; for 3h;Inert atmosphere; Reflux; Synthesis of illustrative compound A-13[0138]toluene/EtOH/H20F-1 A-13[0139] A 200-mL recovery flask was charged with the following reagents and solvents:F-1: 1.85 g (5 mmol)F-7: 4.3 g (12 mmol)Tetrakis (triphenylphosphine) palladium ( 0 ) : 137 mg (0.12 mmol)Toluene: 50 mLEthanol: 20 mLSodium carbonate aqueous solution (concentration: 30% by weight) : 30 mL[0140] hen, the atmosphere inside the reaction system was replaced by a nitrogen atmosphere, and thereafter, the reaction solution was stirred under refluxing for 3 hours. After the completion of the reaction, water was added to the reaction solution and further stirred, and a deposited crystal was filtered out. Then, thecrystal was washed with water, ethanol and acetone successively to obtain a crude product. Then, the crude product was heated and dissolved in chlorobenzene, and hot filtered, and thereafter, recrystallized twice with a chlorobenzene solvent to obtain a purified crystal. Then, the obtained crystal was vacuum dried at 120C to obtain 1.7 g of high-purity illustrative compound A-13 (yield: 50%) .[0141] [MALDI-TOF-MS]Observed value: m/z = 674.98, calculated value: 664.19
 

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