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Product Details of [ 1093418-75-7 ]

CAS No. :1093418-75-7 MDL No. :MFCD16877107
Formula : C8H6BrIO2 Boiling Point : -
Linear Structure Formula :- InChI Key :VAYKANWZAJRNOM-UHFFFAOYSA-N
M.W : 340.94 Pubchem ID :58484707
Synonyms :

Safety of [ 1093418-75-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
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Application In Synthesis of [ 1093418-75-7 ]

* 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 [ 1093418-75-7 ]
  • Downstream synthetic route of [ 1093418-75-7 ]

[ 1093418-75-7 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 1093418-75-7 ]
  • [ 1261470-87-4 ]
Reference: [1] Organic Letters, 2018, vol. 20, # 17, p. 5190 - 5193
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  • [ 1093418-75-7 ]
  • [ 1190360-23-6 ]
Reference: [1] Patent: KR2018/14985, 2018, A,
  • 3
  • [ 1093418-75-7 ]
  • [ 1223434-15-8 ]
YieldReaction ConditionsOperation in experiment
90% at 60℃; for 2 h; Into a 250-mE round-bottom flask, was placed methyl 4-bromo-2-iodobenzoate (5.8 g, 17.01 mmol, 1.00 equiv), NMP (60 mE), CuCN (1.82 g, 20.45 mmol, 1.20 equiv). The resulting solution was stirred for 2 hours at 60° C. in an oil bath. The resulting solution was extracted with ethyl acetate (50 mEx2) and the organic layers combined. The resulting mixture was washed with Fe504 (aq.) (50 mEx2). The mixture was dried over anhydrous sodium sulfate. The residue was applied onto a silica gel colunm with ethyl acetate/petroleum ether (1/3). This resulted in 3.68 g (90percent) of methyl 4-bromo-2-cyanobenzoate as a white solid.
2.39 g at 60℃; for 1 h; [0363] Preparation Example 75: Preparation of methyl 4-bromo-2-cyanobenzoate[0364][0365] To a mixture of methyl 4-bromo-2-iodobenzoate (3.52 g) described in Preparation Example 74 and coppercyanide (1.16 g) was added N-methylpyrrolidone (21 mL), and the mixture was stirred at 60°C for 1 hr. The reactionmixture was cooled, a solution of saturated aqueous ammonium chloride solution and aqueous ammonia (1:1) wasadded, and the mixture was extracted with ethyl acetate. The organic layer was washed with a solution of saturatedaqueous ammonium chloride solution and aqueous ammonia (1:1), saturated aqueous ammonium chloride solution,and saturated brine. The organic layer was dried over sodium sulfate, and the solvent was evaporated to give the titlecompound (2.39 g).MS (ESI) m/z:240(M+H)+.
Reference: [1] Patent: US2018/215731, 2018, A1, . Location in patent: Paragraph 1118; 1120
[2] Patent: EP2565182, 2013, A1, . Location in patent: Paragraph 0363; 0364; 0365
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