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Chemical Structure| 45738-35-0 Chemical Structure| 45738-35-0

Structure of 45738-35-0

Chemical Structure| 45738-35-0

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Product Details of [ 45738-35-0 ]

CAS No. :45738-35-0
Formula : C9H7Br
M.W : 195.06
SMILES Code : BrC1=CC=CC2=C1C=CC2
MDL No. :MFCD28158321
InChI Key :KVPMZHAGRCBCAD-UHFFFAOYSA-N
Pubchem ID :15637624

Safety of [ 45738-35-0 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302
Precautionary Statements:P264-P270-P301+P312-P330-P501

Application In Synthesis of [ 45738-35-0 ]

* 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 [ 45738-35-0 ]

[ 45738-35-0 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 16657-10-6 ]
  • [ 16657-07-1 ]
  • [ 45738-35-0 ]
YieldReaction ConditionsOperation in experiment
69% With sulfuric acid; In water;Reflux; [00163] 4-Bromo-lH-indene (d): Compound c (150 g, 704 mmol, 1 equiv) was suspended in a mixture of concentrated sulfuric acid (250 mL) and water (1.25 L). The mixture was refluxed overnight. The reaction was cooled and extracted with 1.5 L of dichloromethane. The organic layer was washed with saturated sodium bicarbonate (1.5 L), dried over sodium sulfate, and concentrated under reduced pressure. The residue was purified over silica gel (800 g), eluting with heptanes to give compound d (95 g, 69% yield) as a light yellow oil.
With sulfuric acid; In water;Reflux; 4-Bromo-1H-indene (4): Compound 3 (150 g, 704 mmol, 1 equiv) was suspended in a mixture of concentrated sulfuric acid (250 mL) and water (1.25 L). The mixture was refluxed overnight. The reaction was cooled and extracted with 1.5 L of dichloromethane. The organic layer was washed with saturated sodium bicarbonate (1.5 L), dried over sodium sulfate, and concentrated under reduced pressure. The residue was purified over silica gel (800 g), eluting with heptanes to give compound 4 (95 g, 69% yield) as a light yellow oil.
  • 2
  • [ 15115-58-9 ]
  • [ 16657-07-1 ]
  • [ 45738-35-0 ]
  • 3
  • [ 15115-60-3 ]
  • [ 16657-07-1 ]
  • [ 45738-35-0 ]
  • 4
  • [ 90725-40-9 ]
  • [ 16657-07-1 ]
  • [ 45738-35-0 ]
  • 5
  • [ 45738-35-0 ]
  • [ 197223-39-5 ]
  • 4-(3',5'-di-tert-butylphenyl)-1H-indene [ No CAS ]
YieldReaction ConditionsOperation in experiment
91% With bis-triphenylphosphine-palladium(II) chloride; potassium phosphate; triphenylphosphine; In 1,2-dimethoxyethane; water; for 16h;Reflux; Inert atmosphere; In a 300 ml flask, 7.00 g (35.9 mmol) of 4-bromoindene, 9.05 g (38.7 mmol) of 3,5-di-t-butylphenylboronic acid, 0.94 g (3.6 mmol) of triphenylphosphine, 1.26 g (1.8 mmol) of phenyl phosphine palladium, 15.20 g (71.6 mmol) of tripotassium phosphate, 100 ml of 1,2-dimethoxyethane and 100 ml of water were placed and stirred under reflux under an argon atmosphere for 16 hours. The reaction mixture was cooled to room temperature, and 100 ml of water was added to separate the organic layer. The aqueous phase was extracted twice with 100 ml of ethyl acetate and the combined organic layers were dried over anhydrous sodium sulfate. The sodium sulfate was removed by filtration, and the solvent was distilled off with a rotary evaporator. The crude product was purified by column chromatography (silica gel, petroleum ether) to obtain 4- (3,5-di-t-butylphenyl) indene (Yield 91percent) as an orange oil. (3-2) Synthesis of dimethyl (4- (3,5-di-t-butylphenyl) indenyl) (cyclopentadienyl) silane
 

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