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[ CAS No. 493024-39-8 ]

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2D
Chemical Structure| 493024-39-8
Chemical Structure| 493024-39-8
Structure of 493024-39-8 *Storage: {[proInfo.prStorage]}

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Product Details of [ 493024-39-8 ]

CAS No. :493024-39-8MDL No. :MFCD03788472
Formula : C7H5BrClF Boiling Point : 219.1°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :223.47Pubchem ID :-
Synonyms :

Computed Properties of [ 493024-39-8 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 493024-39-8 ]

Signal Word:DangerClass:8
Precautionary Statements:P280-P305+P351+P338-P310UN#:3265
Hazard Statements:H290-H314Packing Group:
GHS Pictogram:

Application In Synthesis of [ 493024-39-8 ]

  • Upstream synthesis route of [ 493024-39-8 ]
  • Downstream synthetic route of [ 493024-39-8 ]

[ 493024-39-8 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 773837-37-9 ]
  • [ 493024-39-8 ]
  • [ 493038-93-0 ]
YieldReaction ConditionsOperation in experiment
100% With benzyltri(n-butyl)ammonium chloride; acetic acid In water; toluene at 20℃; for 4 h; To a solution of 3-chloro-5-fluorobenzyl bromide (58.23 g, 260 mmol) and acetic acid (5.35 mL, 93.6 mmol) in toluene (260 mL) was added dropwise an aqueous solution (195 mL) of sodium cyanide (48.57 g, 990 mmol) and tributylbenzylammonium chloride (5.68 g, 18.2 mmol). The reaction mixture was stirred at room temperature for 4 hr. The organic layer was separated, washed successively with water (200 mL) and saturated brine (200 mL), dried over anhydrous magnesium sulfate and concentrated under reduced pressure. The obtained residue was purified by basic silica gel column chromatography [eluent: hexane-ethyl acetate (4:1)] to give the title compound (44.89 g) as a brown oil (yield 100percent). 1H NMR (300 MHz, CDCl3) δ 3.74 (2H, s), 6.99 (1H, d, J = 8.7 Hz), 7.05-7.13 (1H, m), 7.15 (1H, s).
Reference: [1] Patent: EP2530078, 2012, A1, . Location in patent: Page/Page column 118
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