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[ CAS No. 10102-94-0 ]

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2D
Chemical Structure| 10102-94-0
Chemical Structure| 10102-94-0
Structure of 10102-94-0 *Storage: {[proInfo.prStorage]}

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Product Details of [ 10102-94-0 ]

CAS No. :10102-94-0MDL No. :MFCD03906373
Formula : C10H8BrNO Boiling Point : 374.3°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :238.08Pubchem ID :778451
Synonyms :

Computed Properties of [ 10102-94-0 ]

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

Safety of [ 10102-94-0 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 10102-94-0 ]

  • Upstream synthesis route of [ 10102-94-0 ]
  • Downstream synthetic route of [ 10102-94-0 ]

[ 10102-94-0 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 10102-94-0 ]
  • [ 1066-54-2 ]
  • [ 2975-46-4 ]
YieldReaction ConditionsOperation in experiment
84%
Stage #1: With n-butyllithium In hexane
Stage #2: at 0℃; for 8 h;
General procedure: To the ice-cold solution of aldehyde in THF was added, the solution of alkylmagnesium halide or alkyllithium in THF (1.3 eq., at 0 °C). The reaction was stirred at 0 °C for 1 h, diluted with saturated aq. NH4Cl (10 mL) and ethyl acetate (10 mL). Aqueous layer was extracted with ethyl acetate (2×10 mL). The combined organic layers were washed with brine (10 mL), and dried over Na2SO4. Evaporation of the solvent and purification of the crude mixture by column chromatography (9:1, hexane: EtOAc) gave the corresponding bisindolylmethane derivatives (BIM) up to 92percent yields along with the by-product aldehyde.
Reference: [1] Tetrahedron, 2016, vol. 72, # 49, p. 8106 - 8116
  • 2
  • [ 10102-94-0 ]
  • [ 400071-95-6 ]
Reference: [1] European Journal of Medicinal Chemistry, 2001, vol. 36, # 6, p. 545 - 553
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