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[ CAS No. 23635-14-5 ]

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2D
Chemical Structure| 23635-14-5
Chemical Structure| 23635-14-5
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Product Details of [ 23635-14-5 ]

CAS No. :23635-14-5MDL No. :MFCD00062539
Formula : C10H14O2 Boiling Point : 284.9°C at 760 mmHg
Linear Structure Formula :-InChI Key :CC(=C)[C@H]1CCC(=CC1)C(O)=O
M.W :166.22Pubchem ID :2724160
Synonyms :

Computed Properties of [ 23635-14-5 ]

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

Safety of [ 23635-14-5 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501UN#:N/A
Hazard Statements:H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 23635-14-5 ]

  • Upstream synthesis route of [ 23635-14-5 ]
  • Downstream synthetic route of [ 23635-14-5 ]

[ 23635-14-5 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 536-59-4 ]
  • [ 23635-14-5 ]
  • [ 18031-40-8 ]
YieldReaction ConditionsOperation in experiment
65% With tert-butyl 1-hydroxy-2-methyl-6-trifluoromethyl-1H-indole-3-carboxylate; oxygen; copper(l) chloride In N,N-dimethyl-formamide at 50℃; for 24 h; General procedure: To a 10 mL Schlenk tube, NHI-1 (0.2 mmol, 63 mg) and CuCl (0.2 mmol, 19.6 mg) and DMF (2 mL) were added and stirred at 50 °C for about 30 min to form a dark red solution. Alcohol 11 (2 mmol) was added, the mixture was left to stir at 50 °C under an oxygen balloon (1 atm). The reaction progress was monitored by TLC or GC. After completion, the mixture was allowed to cool to room temperature, quenched with 1M HCl and diluted with H2O (50 mL), extracted with EtOAc (EA) (10 mL .x. 3), the combined organic layer was washed with brine and dried over MgSO4, the crude was purified by flash column chromatography (EtOAc : hexane = 1 : 10 to 1: 3) to afford ketone or aldehyde 12.
Reference: [1] Tetrahedron Letters, 2012, vol. 53, # 8, p. 986 - 990
[2] Green Chemistry, 2012, vol. 14, # 8, p. 2158 - 2161
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