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CAS No. :49660-93-7 MDL No. :MFCD09891214
Formula : C10H11BrO Boiling Point : -
Linear Structure Formula :- InChI Key :PMFLKZHWZXWOEH-UHFFFAOYSA-N
M.W : 227.10 Pubchem ID :15074783
Synonyms :

Safety of [ 49660-93-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 49660-93-7 ]

* 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.

  • Upstream synthesis route of [ 49660-93-7 ]
  • Downstream synthetic route of [ 49660-93-7 ]

[ 49660-93-7 ] Synthesis Path-Upstream   1~19

  • 1
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YieldReaction ConditionsOperation in experiment
94% With ammonium acetate; pyridinium chlorochromate In dichloromethane at 0 - 20℃; for 14 h; Molecular sieve To a suspension of 11 (13.6 g, 60 mmol), AcONH4 (13.8 g, 178 mmol), and molecular sieves 4Å (30 g) in CH2Cl2 (500 mL), PCC (19.2 g, 89 mmol) was added portionwise at 0°C. The mixture was allowed to warming up to rt, and stirred for 14h. The mixture was filtrated through a pad of celite with CH2Cl2. The volatiles were removed under reduced pressure, and the products were purified on silica gel column chromatography with CH2Cl2 as the eluent to give pale yellow oil of 4 (12.7 g, 94percent). Data for 4: MS (GC)m/z = 226 (100percent, M+: C10H11Br79O), 228 (100percent, M+: C10H11Br81O). 1H NMR (400MHz, CDCl3) 7.81 (2H, d, J = 8.6 Hz), 7.59 (2H, d, J = 8.6 Hz), 3.49 (1H, sept, J =6.8 Hz), 1.2 (6H, d, J = 6.8 Hz). 13C NMR (100MHz, CDCl3) 203.3, 135.0, 142.7,132.0, 129.9, 127.9, 35.5, 19.1.
Reference: [1] Beilstein Journal of Organic Chemistry, 2015, vol. 11, p. 972 - 979
[2] Organic Letters, 2018, vol. 20, # 10, p. 2906 - 2910
  • 2
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YieldReaction ConditionsOperation in experiment
30% With oxone; sodium bromide In water; acetonitrile at 50℃; Irradiation; Inert atmosphere Synthesised according to the representative procedure for the formation of 3, using(3-methylbut-1-en-2-yl) benzene (100 mg, 0.7 mmol), Oxone (1 g, 3.5 mmol, 5equiv), and NaBr (252 mg, 2.45 mmol, 6 equiv). The product was purified by flash chromatography (9:1 petroleum ether 40-60 /EtOAc) to provide the product 11 as a yellow oil (47 mg,30percent).
Reference: [1] Tetrahedron Letters, 2016, vol. 57, # 9, p. 983 - 985
  • 3
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YieldReaction ConditionsOperation in experiment
110 g With sodium hydroxide In N,N-dimethyl-formamide at 20℃; P-bromopropiophenone (100 g, 1 eq), at room temperature,Dissolved in 400 mL dimethylformamide,Add more sodium hydroxide (56.3g, 3eq)Methyl iodide (133.3 g, 2 eq) was stirred overnight at room temperature. After the reaction is complete, 500 mL of ethyl acetate and500 mL of water was extracted and the solution was separated and the organic phase was dried over anhydrous sodium sulfate. The solvent was evaporated under reduced pressure to obtain the first intermediate A1, namely: 1-(4-bromo)Phenyl)-2-methylacetone (110 g, pale yellow liquid).
Reference: [1] Bulletin de la Societe Chimique de France, 1959, p. 1686
[2] Journal of Organometallic Chemistry, 1965, vol. 3, p. 438 - 441
[3] Patent: CN107686471, 2018, A, . Location in patent: Paragraph 0067-0081
  • 4
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YieldReaction ConditionsOperation in experiment
46% With chromium(VI) oxide; sulfuric acid In water; acetone for 2 h; 15.4 mi of a solution of Jones'reagent, prepared by dissolving 35 g of Cr03 in 98percent H2SO4 (31.6 ml), in 100 ml of water are added to a solution of 4.7 g (about 20.5 MMOL) of the alcohol obtained in preparation 4 (in a purity of 60percent, as results from the reaction for carrying out preparation 4) in 61 ml of acetone. After two hours, an analysis by thin layer chromatography shows that all the starting material has been consumed. The reaction medium is then filtered and concentrated under reduced pressure. The residue is taken up diethyl ether, washed with 1 N NAOH (twice), with water and with saturated aqueous salt SOLU- tion. The organic phase is then dried over anhydrous magnesium sulfate and concentrated under reduced pressure to give 2.85 g (about 46percent of 4-bromo- BENZALDEHYDE). The product is pure enough to be used without further purification.
Reference: [1] Patent: WO2004/37806, 2004, A1, . Location in patent: Page 38
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Reference: [1] Tetrahedron Letters, 2011, vol. 52, # 45, p. 5968 - 5971
  • 6
  • [ 108-86-1 ]
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Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2013, vol. 23, # 24, p. 6629 - 6635
  • 7
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Reference: [1] Chemistry - A European Journal, 2015, vol. 21, # 9, p. 3576 - 3579
[2] Organic Letters, 2017, vol. 19, # 18, p. 4750 - 4753
[3] Angewandte Chemie - International Edition, 2014, vol. 53, # 3, p. 761 - 765[4] Angew. Chem., 2014, vol. 126, # 3, p. 908
  • 8
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  • [ 99-90-1 ]
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Reference: [1] Advanced Synthesis and Catalysis, 2016, vol. 358, # 21, p. 3373 - 3380
[2] Organic Letters, 2017, vol. 19, # 18, p. 4750 - 4753
[3] Organic Letters, 2017, vol. 19, # 19, p. 5228 - 5231
  • 9
  • [ 623-00-7 ]
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Reference: [1] Patent: US5866568, 1999, A,
  • 10
  • [ 78-82-0 ]
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Reference: [1] Journal of Organic Chemistry, 2013, vol. 78, # 11, p. 5273 - 5281
  • 11
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Reference: [1] Tetrahedron, 2001, vol. 57, # 6, p. 1075 - 1081
  • 12
  • [ 1122-91-4 ]
  • [ 75-26-3 ]
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Reference: [1] Organic Letters, 2017, vol. 19, # 12, p. 3255 - 3258
  • 13
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Reference: [1] Organic Letters, 2017, vol. 19, # 21, p. 5940 - 5943
  • 14
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Reference: [1] Patent: US4079149, 1978, A,
  • 15
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Reference: [1] Beilstein Journal of Organic Chemistry, 2015, vol. 11, p. 972 - 979
[2] Organic Letters, 2018, vol. 20, # 10, p. 2906 - 2910
  • 16
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Reference: [1] Journal of the American Chemical Society, 1992, vol. 114, # 25, p. 9952 - 9959
  • 17
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Reference: [1] Chemische Berichte, 1981, vol. 114, # 8, p. 2866 - 2883
  • 18
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Reference: [1] Tetrahedron, 2001, vol. 57, # 6, p. 1075 - 1081
  • 19
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Reference: [1] Chemische Berichte, 1979, vol. 112, p. 567 - 576
[2] Journal of Organometallic Chemistry, 1965, vol. 3, p. 438 - 441
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