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[ CAS No. 172282-34-7 ]

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2D
Chemical Structure| 172282-34-7
Chemical Structure| 172282-34-7
Structure of 172282-34-7 *Storage: {[proInfo.prStorage]}

Quality Control of [ 172282-34-7 ]

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Alternatived Products of [ 172282-34-7 ]
Alternatived Products of [ 172282-34-7 ]

Product Details of [ 172282-34-7 ]

CAS No. :172282-34-7MDL No. :MFCD13195706
Formula : C5H7IN2 Boiling Point : 239.616°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :222.03Pubchem ID :-
Synonyms :

Computed Properties of [ 172282-34-7 ]

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

Safety of [ 172282-34-7 ]

Signal Word:Class:
Precautionary Statements:UN#:
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Application In Synthesis of [ 172282-34-7 ]

  • Downstream synthetic route of [ 172282-34-7 ]

[ 172282-34-7 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 172282-34-7 ]
  • [ 766-81-4 ]
  • [ 918487-28-2 ]
YieldReaction ConditionsOperation in experiment
64% With triethylamine;bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; In N,N-dimethyl-formamide; at 90℃; for 1.5h; Step b); Preparation of Compound 19; A mixture of 18 (1.36 g, 6.13 mmol), 3-bromophenyl acetylene (1.40 g, 7.73 mmol), bis(triphenylphosphino)palladium(II) chloride (0.132 g, 0.188 mmol), copper(I) iodide (0.025 g, 0.132 mmol) and triethylamine (3.21 g, 31.7 mmol) in DMF (24 mL) was stirred at room temperature for 90 min. Ethyl acetate (500 mL) was added, and the solution washed with water (150 mL) and 2% aqueous lithium chloride (2×100 mL). The organic layer was then dried over sodium sulfate, filtered, and concentrated. Purification by flash chromatography (silica, 10:90 to 20:80 ethyl acetate/hexanes) afforded 19 (1.09 g, 64%) as a reddish-brown solid: 1H NMR (500 MHz, CDCl3) delta 7.65 (s, 1H), 7.62 (t, J=1.7 Hz, 1H), 7.59 (s, 1H), 7.44-7.41 (m, 1H), 7.39 (dt, J=7.8, 1.2 Hz, 1H), 7.19 (t, J=7.9 Hz, 1H), 4.18 (q, J=7.3 Hz, 2H), 1.50 (t, J=7.3 Hz, 3H); ESI MS m/z 275 [C13H11BrN2+H]+.
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