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[ CAS No. 90924-46-2 ]

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2D
Chemical Structure| 90924-46-2
Chemical Structure| 90924-46-2
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Product Details of [ 90924-46-2 ]

CAS No. :90924-46-2MDL No. :MFCD08277245
Formula : C10H9NO3 Boiling Point : -
Linear Structure Formula :-InChI Key :-
M.W :191.18Pubchem ID :18671947
Synonyms :

Computed Properties of [ 90924-46-2 ]

TPSA : 55.4 H-Bond Acceptor Count : 3
XLogP3 : 0.6 H-Bond Donor Count : 1
SP3 : 0.20 Rotatable Bond Count : 2

Safety of [ 90924-46-2 ]

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 [ 90924-46-2 ]

  • Upstream synthesis route of [ 90924-46-2 ]
  • Downstream synthetic route of [ 90924-46-2 ]

[ 90924-46-2 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 90924-46-2 ]
  • [ 90322-37-5 ]
YieldReaction ConditionsOperation in experiment
61% With water; lithium hydroxide In tetrahydrofuran; methanol at 25℃; Inert atmosphere [225] Into a 50-mL round-bottom flask, was placed methyl 2-oxo-2,3-dihydro-lH-indole-4-carboxylate (150 mg, 0.78 mmol, 1.00 equiv), methanol (2 mL), tetrahydrofuran (8 mL), a solution of LiOH (150.8 mg, 6.30 mmol, 8.00 equiv) in water(5 mL). The resulting solution was stirred overnight at 25 °C. The resulting solvent was concentrated under vacuum. The residue was diluted with water (20 mL) and washed with ethyl acetate (30 mL). HC1 (1 mol/L) was employed to adjust the pH to 6. The resulting solution was extracted with 2x40 mL of ethyl acetate, dried over anhydrous sodium sulfate and concentrated to give 85 mg (61percent) of 2-oxo-2,3-dihydro-lH-indole-4-carboxylic acid as a light brown solid. MS (ES, m/z) [M+H]+: 178.
Reference: [1] Patent: WO2017/205296, 2017, A1, . Location in patent: Paragraph 225
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