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[ CAS No. 27383-91-1 ]

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2D
Chemical Structure| 27383-91-1
Chemical Structure| 27383-91-1
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Product Details of [ 27383-91-1 ]

CAS No. :27383-91-1MDL No. :MFCD18909967
Formula : C10H9NO3 Boiling Point : -
Linear Structure Formula :-InChI Key :N/A
M.W :191.18Pubchem ID :52911142
Synonyms :

Computed Properties of [ 27383-91-1 ]

TPSA : 52.3 H-Bond Acceptor Count : 4
XLogP3 : 2.3 H-Bond Donor Count : 0
SP3 : 0.20 Rotatable Bond Count : 2

Safety of [ 27383-91-1 ]

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

Application In Synthesis of [ 27383-91-1 ]

  • Upstream synthesis route of [ 27383-91-1 ]
  • Downstream synthetic route of [ 27383-91-1 ]

[ 27383-91-1 ] Synthesis Path-Upstream   1~7

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YieldReaction ConditionsOperation in experiment
88%
Stage #1: With 3-benzyl-1-(1-((2,6-diisopropylphenyl)imino)ethyl)-1H-imidazol-3-ium chloride; potassium <i>tert</i>-butylate In N,N-dimethyl-formamide at 80℃; for 18 h; Inert atmosphere
Stage #2: at 65℃; for 1 h; Inert atmosphere
In the reaction flask, Under argon, a catalyst (9.9 mg, 0.025 mmol, 5 molpercent), potassium tert-butoxide (0.0672 g, 0.6 mmol) DMF (3.0 mL), 5-methylbenzoxazole (66.58 mg, 0.5 mmol), access to carbon dioxide gas, The reaction was stirred at 80 ° C for 18 hours under normal pressure. Cooled to 65 ° C, Methyl iodide (93 μl, 1.5 mmol) was added and the reaction was stirred at 65 ° C for 1 hour. The reaction mixture was quenched with ethyl acetate and purified by column chromatography (eluting with ethyl acetate / petroleum ether ratio) 1:10 mixed solvent as developing solvent) in a yield of 88percent.
Reference: [1] Green Chemistry, 2018, vol. 20, # 5, p. 989 - 996
[2] Patent: CN106565623, 2017, A, . Location in patent: Paragraph 0040
[3] Organic Letters, 2010, vol. 12, # 15, p. 3567 - 3569
[4] Green Chemistry, 2013, vol. 15, # 3, p. 635 - 640
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Reference: [1] Organic Letters, 2012, vol. 14, # 15, p. 3986 - 3989
[2] Green Chemistry, 2016, vol. 18, # 13, p. 3804 - 3807
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Reference: [1] Organic Letters, 2012, vol. 14, # 15, p. 3986 - 3989
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Reference: [1] Justus Liebigs Annalen der Chemie, 1971, vol. 749, p. 1 - 11
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Reference: [1] Green Chemistry, 2016, vol. 18, # 13, p. 3804 - 3807
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Reference: [1] Justus Liebigs Annalen der Chemie, 1971, vol. 749, p. 1 - 11
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Reference: [1] Justus Liebigs Annalen der Chemie, 1971, vol. 749, p. 1 - 11
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