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Chemical Structure| 648439-19-4 Chemical Structure| 648439-19-4

Structure of 648439-19-4

Chemical Structure| 648439-19-4

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Product Details of [ 648439-19-4 ]

CAS No. :648439-19-4
Formula : C8H9BrO
M.W : 201.06
SMILES Code : OCC1=CC(C)=CC(Br)=C1
MDL No. :MFCD18204791
InChI Key :BDWFMACVHHSBRM-UHFFFAOYSA-N
Pubchem ID :22983157

Safety of [ 648439-19-4 ]

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

Application In Synthesis of [ 648439-19-4 ]

* 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 [ 648439-19-4 ]

[ 648439-19-4 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 648439-19-4 ]
  • [ 58530-13-5 ]
YieldReaction ConditionsOperation in experiment
60% With potassium permanganate; In water; acetone; for 1h;Reflux; Example 43 3-Bromo-5-methylbenzoic acid A solution of KMnO4 (39.3 g, 249 mmol) in water (600 mL) was added slowly to a solution of (3-bromo-5-methylphenyl)methanol (25.0 g, 124 mmol) in acetone (500 mL). The mixture was kept at reflux for 60 mins. After cooling to room temperature, the mixture was acidified with HCl (2N, 100 mL). A brown precipitate formed and was dissolved by adding a solution of saturated sodium bicarbonate (100 mL); then acetone was evaporated in vacuum. Ammonia (150 mL) was added. The mixture was filtered over Celite and the filtrate acidified with concentrated HCl. The product was extracted with diethyl ether (3*150 mL). The combined organic phases were dried (Na2SO4) and concentrated in vacuum to obtain 16.0 g of the acid, 3-bromo-5-methylbenzoic acid, as white crystals (yield: 60%). 1H NMR (400 MHz, CDCl3) delta 8.05 (s, 1H), 7.85-7.84 (m, 1H), 7.58 (s, 1H), 2.40 (s, 3H).
60% Example 43 3-Bromo-5-methylbenzoic Acid A solution of KMnO4 (39.3 g, 249 mmol) in water (600 mL) was added slowly to a solution of (3-bromo-5-methylphenyl)methanol (25.0 g, 124 mmol) in acetone (500 mL). The mixture was kept at reflux for 60 mins. After cooling to room temperature, the mixture was acidified with HCl (2N, 100 mL). A brown precipitate formed and was dissolved by adding a solution of saturated sodium bicarbonate (100 mL); then acetone was evaporated in vacuum. Ammonia (150 mL) was added. The mixture was filtered over Celite and the filtrate acidified with concentrated HCl. The product was extracted with diethyl ether (3*150 mL). The combined organic phases were dried (Na2SO4) and concentrated in vacuum to obtain 16.0 g of the acid, 3-bromo-5-methylbenzoic acid, as white crystals (yield: 60%). 1H NMR (400 MHz, CDCl3) delta 8.05 (s, 1H), 7.85-7.84 (m, 1H), 7.58 (s, 1H), 2.40 (s, 3H).
60% With potassium permanganate; In water; acetone; for 1h;Heating; Reflux; Example 46 3-Bromo-5-methylbenzoic Acid A solution of KMnO4 (39.3 g, 249 mmol) in water (600 mL) was added slowly to a solution of (3-bromo-5-methylphenyl)methanol (25.0 g, 124 mmol) in acetone (500 mL), then the mixture was kept at reflux for 60 min. After cooled to room temperature, the mixture was acidified with HCl (2N, 100 mL). The brown precipitate was dissolved by adding a solution of saturated sodium bicarbonate (100 mL), and then acetone was concentrated in vacuum. Ammonia (150 mL) was added. The mixture was filtered over Celite and acidified with concentrated HCl. The product was extracted with diethyl ether (3*150 mL), the combined organic phases were dried (Na2SO4) and concentrated in vacuum to obtain 16.0 g of the acid 3-bromo-5-methylbenzoic acid as white crystals (yield: 60%). 1H NMR (400 MHz, CDCl3): delta 8.05 (s, 1H), 7.85-7.84 (m, 1H), 7.58 (s, 1H), 2.40 (s, 3H).
Example 43 3-Bromo-5-methylbenzoic acidA solution OfKMnO4 (39.3 g, 249 mmol) in water (600 mL) was added slowly to a solution of (3-bromo-5-methylphenyl)methanol (25.0 g, 124 mmol) in acetone (500 mL). The mixture was kept at reflux for 60 mins. After cooling to room temperature, the mixture was acidified with HCl (2N, 100 mL). A brown precipitate formed and was dissolved by adding a solution of saturated sodium bicarbonate (100 mL); then acetone was evaporated in vacuum. Ammonia (150 mL) was added. The mixture was filtered over Celite and the filtrate acidified with concentrated HCl. The product was extracted with diethyl ether (3 x 150 mL). The combined organic phases were dried (Na2SO4) and concentrated in vacuum to obtain 16.0 g of the acid, 3- bromo-5-methylbenzoic acid, as white crystals (yield: 60 %). 1H NMR (400 MHz, CDCl3) delta 8.05 (s, 1 H), 7.85-7.84 (m, 1 H), 7.58 (s, 1 H), 2.40 (s, 3 H).

  • 2
  • [ 648439-19-4 ]
  • [ 124289-21-0 ]
 

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