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Chemical Structure| 585-71-7 Chemical Structure| 585-71-7

Structure of 585-71-7

Chemical Structure| 585-71-7

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Product Details of [ 585-71-7 ]

CAS No. :585-71-7
Formula : C8H9Br
M.W : 185.06
SMILES Code : CC(C1=CC=CC=C1)Br
MDL No. :MFCD00000139
InChI Key :CRRUGYDDEMGVDY-UHFFFAOYSA-N
Pubchem ID :11454

Safety of [ 585-71-7 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 585-71-7 ]

* 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.

  • Downstream synthetic route of [ 585-71-7 ]

[ 585-71-7 ] Synthesis Path-Downstream   1~7

  • 1
  • [ 585-71-7 ]
  • [ 119838-38-9 ]
  • [ 119838-28-7 ]
  • 2
  • [ 16957-70-3 ]
  • [ 585-71-7 ]
  • (E)-2-methyl-2-(1-phenylethyl)-3-pentenoic acid [ No CAS ]
  • (E)-2,4-dimethyl-5-phenyl-2-hexenoic acid [ No CAS ]
  • 3
  • [ 2478-38-8 ]
  • [ 585-71-7 ]
  • N-hydroxy-N-[1-(4-(1-phenylethoxy)-3,5-dimethoxyphenyl)ethyl]urea [ No CAS ]
YieldReaction ConditionsOperation in experiment
EXAMPLE 2 Preparation of N-hydroxy-N-[1-(4-(1-phenylethoxy)-3,5-dimethoxyphenyl)ethyl]urea The title compound was prepared according to the procedure of Example 1 substituting 3,5-dimethoxy-4-hydroxyacetophenone for 4-hydroxyacetophenone. It was necessary to reflux the alkylation reaction with 1-phenylethylbromide for 3 days. m.p.=129-132 C.; 1 H NMR (300 MHz, DMSO--d6): 1.36 (3H, d, J=6.9 Hz), 1.41 (3H, d, J=6.6 Hz), 3.71 (6H, s), 5.16-5.28 (2H, m), 6.35 (2H, s), 6.59 (2H, s), 7.20-7.35 (3H, m), 7.41-7.47 (2H, m), 9.03 (1H, s); MS, (M+H)+ =361, (M+NH4)=378; Analysis calc'd for C19 H24 N2 O5: C, 63.32; H, 6.71; N, 7.77; Found: C, 62.90; H, 6.86; N, 7.69.
  • 4
  • [ 36193-65-4 ]
  • [ 585-71-7 ]
  • [ 911132-62-2 ]
  • 5
  • [ 1303587-99-6 ]
  • [ 585-71-7 ]
  • 2-chloro-8-(1-phenylethyl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine [ No CAS ]
YieldReaction ConditionsOperation in experiment
87% With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0℃; for 1h;Inert atmosphere; Synthesis of2-chloro-8-(l-phenylethyl)-7, 8-dihydro-6H-pyrimido [5, 4-b] [I, 4] oxazine [0454] To a stirred solution of 2-chloro-7, 8-dihydro-6H-pyrimido [5, 4-b] [1, 4] oxazine (100 mg, 0.58 mmol) in DMF (2 mL) under argon atmosphere was added sodium hydride (27 mg, 1.16 mmol) at 0 C. After stirring for 10 mins, (1-bromoethyl) benzene (130 mg, 0.70 mmol) was added to the reaction mixture at 0 C and stirred for 1 h. After consumption of the starting materials (monitored by TLC), the reaction was diluted with water (20 mL) and extracted with EtOAc (2 x 20 mL). The combined organic extracts were dried over sodium sulfate, filtered and concentrated in vacuo to afford 2-chloro-8-(l-phenylethyl)-7, 8-dihydro- 6H-pyrimido [5, 4-b] [1, 4] oxazine (140 mg, 87%) as an off-white solid. 1H-NMR (CD3OD, 400 MHz): delta 7.60 (s, 1H), 7.39-7.23 (m, 5H), 6.20-6.11 (m, 1H), 4.18-4.10 (m, 1H), 3.98- 3.91 (m, 1H), 3.50-3.41 (m, 1H), 3.10-3.02 (m, 1H), 1.60 (s, 3H); LCMS: 275.8 (M+l); (column; X-Select CSH C-18 (50 3.0 mm, 3.5 mupiiota); RT 3.70 min 0.05% Aq TFA: ACN; 0.80 mL/min); TLC: 60% EtOAc/hexane (R 0.5).
  • 6
  • [ 135159-25-0 ]
  • [ 585-71-7 ]
  • [ 1046126-93-5 ]
  • 7
  • [ 78137-76-5 ]
  • [ 585-71-7 ]
  • 1-bromo-2-nitro-4-(1-phenylethoxy)benzene [ No CAS ]
YieldReaction ConditionsOperation in experiment
3 g With potassium carbonate; In acetone; at 20℃; To a 50-mL round-bottom flask was placed a solution of <strong>[78137-76-5]4-bromo-3-nitrophenol</strong> (2 g,9.17 mmol) in acetone (20 mL) then K2C03 (3.8 g,27.54 mmol) and (i-bromoethyl)benzene (1.86 g,10.05 mmol) were added. The reaction was stirred overnight at ft then the solids were removed by filtration. The filtrate wasconcentrated under reduced pressure affording 3 g of the title compound as a yellow solid.
 

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