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[ CAS No. 917562-09-5 ]

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Chemical Structure| 917562-09-5
Chemical Structure| 917562-09-5
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Product Details of [ 917562-09-5 ]

CAS No. :917562-09-5 MDL No. :MFCD08061830
Formula : C7H6BrClO Boiling Point : -
Linear Structure Formula :- InChI Key :N/A
M.W :221.48 g/mol Pubchem ID :-
Synonyms :

Safety of [ 917562-09-5 ]

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

Application In Synthesis of [ 917562-09-5 ]

  • Downstream synthetic route of [ 917562-09-5 ]

[ 917562-09-5 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 917562-09-5 ]
  • [ 762292-63-7 ]
YieldReaction ConditionsOperation in experiment
100% With N-Bromosuccinimide; triphenylphosphine; In tetrahydrofuran; at 0 - 20℃; for 3.0h; 1-bromo-3-(bromomethyl)-5-chlorobenzene. To a solution of <strong>[917562-09-5]3-bromo-5-chloro-benzyl alcohol</strong> (1 g, 4.51 mmol) in THF (25 mL) at 0 C., was added N-bromosuccinimide (1.68 g, 9.48 mmol) and triphenylphosphine (2.36 g, 9.03 mmol). The mixture was allowed to stir at room temperature for 3 hours then quenched with saturated NaHCO3 and extracted with ether. The organic layer was dried over MgSO4, filtered and concentrated under vacuum. Column chromatography on silica gel (0-5% EtOAc/hexanes) afforded intermediate 18 (1.31 g, 2.68 mmol, >100%). 1H NMR (400 MHz, CHLOROFORM-D) δ ppm 4.36 (s, 2H) 7.31 (t, J=1.64 Hz, 1H) 7.40-7.46 (m, 2H). Mass spec.: 285.38 (MH+)+.
With phosphorus tribromide; In dichloromethane; chloroform; at 20℃; Step 1-Preparation of 1-bromo-3-bromomethyl-5-chloro-benzene (16) Into a flask, (3-bromo-5-chloro-phenyl)-methanol (15, 2400 mg, 0.011 mol) was dissolved in 200 mL of chloroform. Phosphorus tribromide in dichloromethane (1M, 16 mL) was added and the reaction mixture stirred overnight at ambient condition. The reaction mixture was diluted with water and extracted 3* with dichloromethane. The combined organic layers were washed 1* with water, 1* with brine, and dried over sodium sulfate. Evaporation of solvent gave the desired compound. 1H NMR consistent with compound structure.
  • 2
  • [ 917562-09-5 ]
  • [ 22446-37-3 ]
  • methyl 2-(2-((3-bromo-5-chlorobenzyl)oxy)phenyl)acetate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 0 - 20℃;Inert atmosphere; A solution of <strong>[917562-09-5]3-bromo-5-chloro-benzyl alcohol</strong> (CAS 917562-09-5) (5.0 g, 22.58 mmol) and methyl 2-(2-hydroxyphenyl)acetate (CAS 22446-37-3) (4.88 g, 29.3 mmol) and PPh3 (7.70 g, 29.3 mmol) in THF (100 mL) was cooled to 0C in an ice/water bath under nitrogen. DIAD (5.71 ml, 29.3 mmol) was added dropwise. The resulting solution was allowed to warm to room temperature and then stirred overnight. The reaction was quenched with water, extracted with EtOAc, washed with brine, dried with MgS04, filtered and concentrated. The crude was purified by flash chromatography (0-40% EtOAc: Heptanes) to provide the title compound.
  • 3
  • [ 917562-09-5 ]
  • [ 258331-10-1 ]
  • tert-butyl 2-(2-((3-bromo-5-chlorobenzyl)oxy)phenyl)acetate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 0 - 20℃; for 16h;Inert atmosphere; Intermediate 3-A. tert-Butyl 2-(2-((3-bromo-5-chlorobenzyl)oxy)phenyl)acetate A solution of 3-bromo-5-chloro-benzyl alcohol (CAS 917562-09-5) (2.24 g, 10.1 1 mmol) and fe/ -butyl 2-(2-hydroxyphenyl) acetate (Intermediate 2, 2.74 g, 13.15 mmol) and PPh3 (3.45 g, 13.15 mmol) inTHF (50 mL) was cooled to 0 C in an ice/water bath under nitrogen. DIAD (2.56 ml, 13.15 mmol) was added dropwise. The resulting yellow solution was allowed to warm to room temperature and then stirred for 16 hours. Excess base was quenched with water and the resulting mixture was extracted with EtOAc (2X), washed with brine, dried with MgS04, filtered and concentrated. The residue was purified by silica gel chromatography (0-40% EtOAc/heptane) to provide the title compound. 1H NMR (400 MHz, CHLOROFORM-cf2) delta ppm 7.44 - 7.53 (m, 2 H) 7.38 (t, J=1 .64 Hz, 1 H) 7.17 - 7.24 (m, 2 H) 6.96 (d, J=1 .01 Hz, 1 H) 6.86 (d, J=8.21 Hz, 1 H) 5.02 (s, 2 H) 3.60 (s, 2 H) 1 .42 (s, 9 H).
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