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[ CAS No. 1147014-97-8 ]

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Chemical Structure| 1147014-97-8
Chemical Structure| 1147014-97-8
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CAS No. :1147014-97-8 MDL No. :MFCD11845959
Formula : C9H10BrI Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W :324.98 g/mol Pubchem ID :50997870
Synonyms :

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Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1147014-97-8 ]

  • Upstream synthesis route of [ 1147014-97-8 ]
  • Downstream synthetic route of [ 1147014-97-8 ]

[ 1147014-97-8 ] Synthesis Path-Upstream   1~3

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YieldReaction ConditionsOperation in experiment
10% With sulfuric acid; bromine; silver sulfate In water at 20℃; for 1 h; l-Iodo-2-isopropylbenzene (1.5 g, 6.1 mmol) was suspended with silver sulfate (1.0 g, 3.1 mmol), concentrated sulfuric acid (5.5 mL), water (0.6 mL), and bromine (0.3 mL, 6.4 mmol). The triphasic solution was stirred at room temperature for 1 h. The mixture was <n="74"/>poured into ether (150 niL) and water (75 rnL). The solids were filtered and the layers separated. The organic layer was concentrated in vacuo and the residue purified by preparatory HPLC to afford the title compound as a white solid (189 mg, 10percent).[0257] 1H NMR (500 MHz, DMSO-J6) δ 1.18 (d, J = 6.8 Hz, 6H), 3.07 (qn, J = 6.8 Hz, IH), 7.15 (dd, J = 8.4, 2.5 Hz, IH), 7.46 (d, J = 2.4 Hz, IH), 7.75 (d, J= SA Hz, IH) 2D NOE (500 MHz, DMSO-J6): crosspeak between δ 1.18 and 7.46
Reference: [1] Patent: WO2009/55674, 2009, A1, . Location in patent: Page/Page column 72-73
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Reference: [1] Organic and Biomolecular Chemistry, 2013, vol. 11, # 19, p. 3116 - 3127
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Reference: [1] Organic and Biomolecular Chemistry, 2013, vol. 11, # 19, p. 3116 - 3127
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