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Chemical Structure| 1093418-75-7 Chemical Structure| 1093418-75-7

Structure of Methyl 4-bromo-2-iodobenzoate
CAS No.: 1093418-75-7

Chemical Structure| 1093418-75-7

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Product Details of [ 1093418-75-7 ]

CAS No. :1093418-75-7
Formula : C8H6BrIO2
M.W : 340.94
SMILES Code : IC1=C(C=CC(Br)=C1)C(OC)=O
MDL No. :MFCD16877107
InChI Key :VAYKANWZAJRNOM-UHFFFAOYSA-N
Pubchem ID :58484707

Safety of [ 1093418-75-7 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
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

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.

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

[ 1093418-75-7 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1093418-75-7 ]
  • copper(l) cyanide [ No CAS ]
  • [ 1223434-15-8 ]
YieldReaction ConditionsOperation in experiment
90% In 1-methyl-pyrrolidin-2-one; at 60℃; for 2h; 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 (90%) of methyl 4-bromo-2-cyanobenzoate as a white solid.
2.39 g In 1-methyl-pyrrolidin-2-one; at 60℃; for 1h; [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 60C 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)+.
 

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