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[ CAS No. 91004-40-9 ]

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2D
Chemical Structure| 91004-40-9
Chemical Structure| 91004-40-9
Structure of 91004-40-9 *Storage: {[proInfo.prStorage]}

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Product Details of [ 91004-40-9 ]

CAS No. :91004-40-9MDL No. :
Formula : C9H9NO4 Boiling Point : -
Linear Structure Formula :-InChI Key :-
M.W :195.17Pubchem ID :-
Synonyms :

Computed Properties of [ 91004-40-9 ]

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

Safety of [ 91004-40-9 ]

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Application In Synthesis of [ 91004-40-9 ]

  • Upstream synthesis route of [ 91004-40-9 ]
  • Downstream synthetic route of [ 91004-40-9 ]

[ 91004-40-9 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 91004-40-9 ]
  • [ 27383-86-4 ]
YieldReaction ConditionsOperation in experiment
0.72 g With azodicarboxylic acid bis(2-methoxyethyl) ester; triphenylphosphine In tetrahydrofuran at 20℃; for 3 h; Cooling with ice A mixture of 2.16 g of azodicarboxylic acid bis(2- methoxyethyl)ester and 10 ml of THF was added dropwise to a mixture of 1.2 g of methyl 2-[(2-hydroxyphenyl)amino]-2- oxo-acetate, 2.42 g oftriphenylphosphine, and 25 ml of THF under ice cooling, followed by stirring for 3 hours at room temperature. The reaction mixture was concentrated under reduced pressure, and the residues were subjected to silica gel column chromatography, thereby obtaining 0.72 g of methyl benzoxazole-2-carboxylate (hereinafier, described as a “compound 16 of the present invention”).Compound 16 of the Present Invention11219] ‘H-NMR (CDC13) ö: 7.92-7.89 (m, 1H), 7.70-7.66 (m, 1H), 7.57-7.52 (m, 1H), 7.50-7.45 (m, 1H), 4.10 (s, 3H)
Reference: [1] Patent: US2015/289512, 2015, A1, . Location in patent: Paragraph 1218; 1219
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