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[ CAS No. 532440-88-3 ]

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Chemical Structure| 532440-88-3
Chemical Structure| 532440-88-3
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Product Details of [ 532440-88-3 ]

CAS No. :532440-88-3 MDL No. :MFCD11841053
Formula : C8H10BrNO Boiling Point : -
Linear Structure Formula :- InChI Key :N/A
M.W :216.08 g/mol Pubchem ID :21966452
Synonyms :

Safety of [ 532440-88-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 532440-88-3 ]

  • Upstream synthesis route of [ 532440-88-3 ]
  • Downstream synthetic route of [ 532440-88-3 ]

[ 532440-88-3 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 144-55-8 ]
  • [ 16452-01-0 ]
  • [ 532440-88-3 ]
YieldReaction ConditionsOperation in experiment
85% With tetra-n-butylammonium tribromide In hexane; dichloromethane; ethyl acetate g.
2-bromo-5-methoxy-4-methyl-aniline.
To a solution of 3-methoxy-4-methyl-aniline (8.19 g, 59.71 mmol) in dichloromethane (200 mL), was added tetrabutylammonium tribromide (28.79 g, 59.71 mmol) and the reaction mixture was stirred at room temperature for 2.5 hrs.
Aqueous NaHCO3 was added and the layers separated.
The aqueous layer was further extracted with dichloromethane and the combined organics washed successively with water and brine, dried over MgSO4, filtered and evaporated.
The residue was chromatographed on silica gel (20percent ethyl acetate in hexane) to give 11.05 g of 2-bromo-5-methoxy-4-methyl-aniline (85percent yield).
1H NMR (300 MHz; CDCl3): 2.09 (s, 3 H), 3.75 (s, 3 H), 3.95 (br s, 1 H), 6.27 (s, 1 H), 7.13 (s, 1 H).
Reference: [1] Patent: US2003/144329, 2003, A1,
  • 2
  • [ 16452-01-0 ]
  • [ 532440-88-3 ]
YieldReaction ConditionsOperation in experiment
7.85 g With tetra-N-butylammonium tribromide In chloroform at 0℃; for 0.333333 h; Reference Production Example 79 (1473) A mixture of 6.85 g of 3-methoxy-4-methylaniline and 150 mL of chloroform was cooled to 0° C. and 26.5 g of tetrabutylammonium tribromide was added, followed by stirring at the same temperature for 20 minutes. To the reaction mixture, chloroform was added. The organic layer was washed with a sodium bicarbonate solution, an aqueous sodium sulfite solution, water, and a saturated saline solution, dried over anhydrous sodium sulfate, and then concentrated under reduced pressure. (1474) The residue thus obtained was subjected to silica gel column chromatography to obtain 7.85 g of 2-bromo-5-methoxy-3-methylalanine. (1475) 1H-NMR (CDCl3) δ: 2.08 (3H, s), 3.76 (3H, s), 3.93 (2H, br s), 6.28 (1H, s), 7.12 (1H, s).
Reference: [1] Journal of Medicinal Chemistry, 2017, vol. 60, # 5, p. 1876 - 1891
[2] Patent: US2016/150787, 2016, A1, . Location in patent: Paragraph 1473-1475
Historical Records

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