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Chemical Structure| 16657-10-6 Chemical Structure| 16657-10-6

Structure of 16657-10-6

Chemical Structure| 16657-10-6

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CAS No.: 16657-10-6

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Product Details of [ 16657-10-6 ]

CAS No. :16657-10-6
Formula : C9H9BrO
M.W : 213.07
SMILES Code : OC1CCC2=C1C=CC=C2Br
MDL No. :MFCD11219497
Boiling Point : No data available
InChI Key :RNXQQZNOSYBFTN-UHFFFAOYSA-N
Pubchem ID :13330208

Safety of [ 16657-10-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302
Precautionary Statements:P280-P305+P351+P338

Application In Synthesis of [ 16657-10-6 ]

* 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 [ 16657-10-6 ]

[ 16657-10-6 ] Synthesis Path-Downstream   1~3

  • 2
  • [ 98-29-3 ]
  • [ 16657-10-6 ]
  • [ 104-15-4 ]
  • [ 16657-07-1 ]
YieldReaction ConditionsOperation in experiment
In toluene; Stage A: 4-bromo-3H-indene 30 g of 4-bromo-1-indanol is dissolved in 720 ml of toluene, 27 g of paratoluene sulphonic acid is added, then 0.93 g of 4-tertbutylcatechol is added. The mixture is taken to reflux for one hour. After cooling to 20 C., the organic phase is washed with 25 ml of N sodium hydroxide, dried and concentrated to dryness, and the residue is chromatographed on silica, eluding with a hexane-difluoro dichloro ethane mixture (95-5), and 24.6 g of expected product is isolated. Aromatic 1544 cm-1
  • 3
  • [ 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.
 

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