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Chemical Structure| 57682-09-4 Chemical Structure| 57682-09-4

Structure of 57682-09-4

Chemical Structure| 57682-09-4

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Product Details of [ 57682-09-4 ]

CAS No. :57682-09-4
Formula : C16H14O4
M.W : 270.28
SMILES Code : COC(COC1=CC=C(C(C2=CC=CC=C2)=O)C=C1)=O
MDL No. :MFCD13357010
InChI Key :WAAGUMJODZOKDE-UHFFFAOYSA-N
Pubchem ID :28825416

Safety of [ 57682-09-4 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319
Precautionary Statements:P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Application In Synthesis of [ 57682-09-4 ]

* 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 [ 57682-09-4 ]
  • Downstream synthetic route of [ 57682-09-4 ]

[ 57682-09-4 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 57682-09-4 ]
  • [ 6322-83-4 ]
YieldReaction ConditionsOperation in experiment
95% With water; lithium hydroxide In tetrahydrofuran; methanolHeating General procedure: To a solution of 5a-i (1.0 eq.) in a mixture of equal amounts of THF and methanol (0.5 M solution) was added an aqueous 1 M solution of LiOH (5.0 eq.). After 1 hour at 100 °C th esaponification of the esters 6a-q was completed shown by TLC (EtOAc/Pet. ether 1/3). While the mixture was cooled on ice, the pH was adjusted to pH = 1 using a 2 M HCl solution (aq.). The resulting precipitate was collected by filtration, washed with water, Pet. ether and co-evaporated with acetone to dryness. 1.7.1. 2-(4-Benzoylphenoxy)acetic acid (6a).[21] White solids 1.37 g, yield = 95percent. 1H NMR (400 MHz, CDCl3 + drop of DMSO): δ 9.50 (s br, 1H), 7.82 (d, J = 8.4 Hz, 2H), 7.75 (d, J = 7.6 Hz, 2H), 7.58 (t, J = 7.6 Hz, 1H), 7.47 (t, J = 7.6 Hz, 2H), 7.00 (d, J = 8.8 Hz, 2H), 4.69 (s, 2H) ppm.
References: [1] Journal of Mass Spectrometry, 2015, vol. 50, # 2, p. 407 - 417.
[2] European Journal of Medicinal Chemistry, 2015, vol. 106, p. 50 - 59.
[3] Patent: US2016/214967, 2016, A1, . Location in patent: Paragraph 0336; 0337.
 

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