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[ CAS No. 69687-80-5 ] {[proInfo.proName]}

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Chemical Structure| 69687-80-5
Chemical Structure| 69687-80-5
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Product Details of [ 69687-80-5 ]

CAS No. :69687-80-5 MDL No. :MFCD00203859
Formula : C8H11NO2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 153.18 Pubchem ID :-
Synonyms :

Safety of [ 69687-80-5 ]

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

Application In Synthesis of [ 69687-80-5 ]

* 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.

  • Upstream synthesis route of [ 69687-80-5 ]
  • Downstream synthetic route of [ 69687-80-5 ]

[ 69687-80-5 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 69687-80-5 ]
  • [ 120935-94-6 ]
YieldReaction ConditionsOperation in experiment
92% With pyridinium hydrobromide perbromide; triethylamine In dichloromethane at 0℃; for 2 h; To a mixture of methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate 21 (6.85 g, 45.0 mmol), triethylamine (8.7 mL, 63.0 mmol) and CH2Cl2 (270 mL) was added pyridinium bromide perbromide (15.7 g, 15.7 mmol) portionwise at 0 °C. After stirring at 0 °C for 2 h, the mixture was poured into brine and extracted with EtOAc. The organic layer was dried over anhydrous MgSO4 and concentrated in vacuo. The residue was purified by silica gel column chromatography (hexane-EtOAc). The product was recrystallized from hexane-EtOAc to give 22 (7.59 g, 92percent) as yellow crystals. 1H NMR (300 MHz, CDCl3) δ: 2.19 (3H, s), 2.47 (3H, s), 3.82 (3H, s), 8.20 (1H, s).
Reference: [1] Bioorganic and Medicinal Chemistry, 2012, vol. 20, # 1, p. 422 - 434
[2] Journal of Medicinal Chemistry, 1993, vol. 36, # 19, p. 2739 - 2744
[3] Patent: EP1466902, 2004, A1, . Location in patent: Page 31
  • 2
  • [ 69687-80-5 ]
  • [ 39416-48-3 ]
  • [ 120935-94-6 ]
Reference: [1] Patent: EP300688, 1989, A1,
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