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Chemical Structure| 181696-35-5
Chemical Structure| 181696-35-5
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Product Details of [ 181696-35-5 ]

CAS No. :181696-35-5 MDL No. :MFCD26743607
Formula : C16H13NO4S Boiling Point : -
Linear Structure Formula :- InChI Key :LLWOSCPRJRUVST-UHFFFAOYSA-N
M.W : 315.34 Pubchem ID :11565904
Synonyms :

Safety of [ 181696-35-5 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 181696-35-5 ]

* 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 [ 181696-35-5 ]
  • Downstream synthetic route of [ 181696-35-5 ]

[ 181696-35-5 ] Synthesis Path-Upstream   1~7

  • 1
  • [ 181696-35-5 ]
  • [ 181695-72-7 ]
YieldReaction ConditionsOperation in experiment
91.4%
Stage #1: With thionyl chloride In dichloromethane at 0 - 5℃; for 0.666667 h;
Stage #2: With ammonium hydroxide In dichloromethane at 20℃; for 1 h;
5-methyl-3-phenyl-4- (4-sulfonic acid phenyl) isoxazole 11.7g (50mmol) dissolved in dichloromethaneOf thionyl chloride was added dropwise 9.3g (100mmol) at 0 ~ 5 reaction was stirred 40 minutes,Quenched with ice water, extracted with dichloromethane,Methylene chloride phase directly into the aqueous ammonia,The reaction temperature was raised to 20 deg.] C continued for 1 hourAfter the reaction, dichloromethane extraction,Washed, concentrated,Methanol to obtain 14.4 g of vediloxib,The yield was 91.4percent and the purity was 99.54percent.
Reference: [1] Patent: CN106008387, 2016, A, . Location in patent: Paragraph 0020; 0045; 0046; 0047
  • 2
  • [ 932-90-1 ]
  • [ 181696-35-5 ]
YieldReaction ConditionsOperation in experiment
98.9% With tris[2-phenylpyridinato-C2,N]iridium(III); magnesium oxide; triethylamine In tetrahydrofuran at 25℃; for 0.5 h; Irradiation 12.1 g (100 mmol) of benzaldehyde oxime21.6 g (110 mmol) of 1- (4-sulfophenyl) propyne,Tris (2-phenylpyridine) iridium (III) 3.3g (5mmol),(80 mmol) of triethylamine and 1.2 g (30 mmol) of magnesium oxide were added to a flask containing 30 ml of THF,25 for 30min,Light emitted by the blue light-emitting diodes,The illumination wavelength was 455 nm.The reaction solution was concentrated, washed with water and then recrystallized from ethanol,Dried to give 31.2 g of 5-methyl-3-phenyl-4- (4-sulfophenyl) isoxazole in a yield of 98.9percentPurity 99.50percent.
Reference: [1] Patent: CN106008387, 2016, A, . Location in patent: Paragraph 0020; 0027; 0028; 0029
[2] Patent: CN108440436, 2018, A, . Location in patent: Paragraph 0019; 0022; 0025; 0028; 0031
  • 3
  • [ 37928-17-9 ]
  • [ 181696-35-5 ]
Reference: [1] Patent: WO2005/85218, 2005, A1, . Location in patent: Page/Page column 8
[2] Synthetic Communications, 2012, vol. 42, # 5, p. 639 - 649
[3] Synthetic Communications, 2012, vol. 42, # 5, p. 639 - 649
  • 4
  • [ 509074-26-4 ]
  • [ 181696-35-5 ]
Reference: [1] Synthetic Communications, 2012, vol. 42, # 5, p. 639 - 649
  • 5
  • [ 52201-28-2 ]
  • [ 181696-35-5 ]
Reference: [1] Synthetic Communications, 2012, vol. 42, # 5, p. 639 - 649
[2] Synthetic Communications, 2012, vol. 42, # 5, p. 639 - 649
[3] Synthetic Communications, 2012, vol. 42, # 5, p. 639 - 649
[4] Synthetic Communications, 2012, vol. 42, # 5, p. 639 - 649
  • 6
  • [ 103-79-7 ]
  • [ 181696-35-5 ]
Reference: [1] Synthetic Communications, 2012, vol. 42, # 5, p. 639 - 649
[2] Synthetic Communications, 2012, vol. 42, # 5, p. 639 - 649
[3] Synthetic Communications, 2012, vol. 42, # 5, p. 639 - 649
[4] Synthetic Communications, 2012, vol. 42, # 5, p. 639 - 649
  • 7
  • [ 857259-65-5 ]
  • [ 181696-35-5 ]
Reference: [1] Synthetic Communications, 2012, vol. 42, # 5, p. 639 - 649
[2] Synthetic Communications, 2012, vol. 42, # 5, p. 639 - 649
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