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[ CAS No. 84392-17-6 ] {[proInfo.proName]}

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Chemical Structure| 84392-17-6
Chemical Structure| 84392-17-6
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Product Details of [ 84392-17-6 ]

CAS No. :84392-17-6 MDL No. :MFCD00075353
Formula : C14H9F3O2 Boiling Point : -
Linear Structure Formula :- InChI Key :IQOMYCGTGFGDFN-UHFFFAOYSA-N
M.W : 266.22 Pubchem ID :55251
Synonyms :

Safety of [ 84392-17-6 ]

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

Application In Synthesis of [ 84392-17-6 ]

* 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 [ 84392-17-6 ]
  • Downstream synthetic route of [ 84392-17-6 ]

[ 84392-17-6 ] Synthesis Path-Upstream   1~22

  • 1
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Reference: [1] Organic Letters, 2018, vol. 20, # 5, p. 1316 - 1319
[2] Organic and Biomolecular Chemistry, 2015, vol. 13, # 43, p. 10745 - 10750
[3] Journal of Medicinal Chemistry, 2001, vol. 44, # 26, p. 4677 - 4687
[4] Organic Letters, 2014, vol. 16, # 12, p. 3216 - 3219
[5] Journal of Organic Chemistry, 2015, vol. 80, # 2, p. 911 - 919
[6] Organic Letters, 2015, vol. 17, # 18, p. 4550 - 4553
  • 2
  • [ 88-67-5 ]
  • [ 128796-39-4 ]
  • [ 84392-17-6 ]
YieldReaction ConditionsOperation in experiment
74.55% With 20% palladium hydroxide-activated charcoal; sodium carbonate In water at 80 - 90℃; for 6 h; 2-Iodobenzoic acid (100 gm, 0.4032 moles) , 4-(Trifluoromethyl)phenyl boronic acid (99.55 gm, 0.524 moles), sodium carbonate (164 gm, 1.55 moles) and 20 percent palladium hydroxide on carbon (15 gm) in water (3.0 L) was heated to 80-90°C for 6 hrs. The progress of the reaction was monitored by HPLC. After completion of the reaction the reaction mass was cooled 70-80°C and filtered through hyflow bed. The filtrate was cooled to room temperature and the pH was adjusted to 1-2 with hydrochloric acid. The precipitated solid was filtered and washed with 1.0 L water. The solid was dissolved in 376 ml ethanol at 60-70°C and charcolised. The solution was filtered through hyflow bed at 60°C and washed with 180 mL hot ethanol. Water (1.086 L ) was added to the filtrate at 50 -60°C and the precipitated solid was cooled to room temperature. The solid was filtered and dried in air oven for 12 hrs at 60°C to afford 80 gm of 4'- (Trifluoromethyl)biphenyl-2-carboxylic acid as a white solid (Yield 74.55 percent, HPLC purity 99.98 percent).
Reference: [1] Tetrahedron Letters, 2006, vol. 47, # 25, p. 4225 - 4229
[2] Patent: WO2016/55934, 2016, A1, . Location in patent: Paragraph 0134
  • 3
  • [ 666179-65-3 ]
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YieldReaction ConditionsOperation in experiment
72%
Stage #1: With potassium hydroxide In 1-methyl-pyrrolidin-2-one at 20 - 95℃; Reflux
Stage #2: With hydrogenchloride In 1-methyl-pyrrolidin-2-one; water at 10 - 20℃; for 3 h;
8.
Preparation of 4percent Trifluoromethylbiphenyl-2-carboxylic Acid
At room temperature, 50.7 g of isopropyl 4-trifluoromethylbiphenyl-2-carboxylate (0.165 mol) 200 g of N-methylpyrrolidone were introduced as initial charge in a 0.5 l sulphonation beaker with precision-ground glass stirrer and reflux condenser and admixed with 196 g of a 20percent strength potassium hydroxide solution.
The reaction mixture was stirred overnight at 90 to 95° C.
It was then cooled to room temperature and acidified to pH 1-2 with 300 ml of a 20percent strength hydrochloric acid.
The reaction suspension was cooled to 10° C. and after-stirred for 3 h.
The precipitate was filtered off and the filter residue was washed with copious amounts of water.
The wet product was then dried overnight in a vacuum drying cabinet at 40° C. and 20 mbar.
This gave 31.7 g of 4-trifluoromethylbiphenyl-2-carboxylic acid (0.119 mol, 72percent) as a colourless solid.
Reference: [1] Patent: US2012/16152, 2012, A1, . Location in patent: Page/Page column 8
  • 4
  • [ 84392-18-7 ]
  • [ 84392-17-6 ]
Reference: [1] Patent: US4578522, 1986, A,
  • 5
  • [ 402-43-7 ]
  • [ 149105-19-1 ]
  • [ 84392-17-6 ]
Reference: [1] Synthesis, 2002, # 8, p. 1043 - 1046
  • 6
  • [ 84392-23-4 ]
  • [ 84392-17-6 ]
Reference: [1] Tetrahedron Letters, 2001, vol. 42, # 37, p. 6523 - 6526
  • 7
  • [ 128796-39-4 ]
  • [ 84392-17-6 ]
Reference: [1] Journal of Medicinal Chemistry, 2001, vol. 44, # 26, p. 4677 - 4687
[2] Tetrahedron Letters, 2001, vol. 42, # 37, p. 6523 - 6526
[3] Organic Letters, 2014, vol. 16, # 12, p. 3216 - 3219
[4] Journal of Organic Chemistry, 2015, vol. 80, # 2, p. 911 - 919
[5] Organic Letters, 2015, vol. 17, # 18, p. 4550 - 4553
[6] Organic Letters, 2018, vol. 20, # 5, p. 1316 - 1319
  • 8
  • [ 7440-44-0 ]
  • [ 84392-23-4 ]
  • [ 84392-17-6 ]
Reference: [1] Patent: US4578522, 1986, A,
  • 9
  • [ 610-97-9 ]
  • [ 84392-17-6 ]
Reference: [1] Organic Letters, 2014, vol. 16, # 12, p. 3216 - 3219
[2] Journal of Organic Chemistry, 2015, vol. 80, # 2, p. 911 - 919
[3] Organic Letters, 2015, vol. 17, # 18, p. 4550 - 4553
[4] Organic Letters, 2018, vol. 20, # 5, p. 1316 - 1319
  • 10
  • [ 5329-14-6 ]
  • [ 84392-23-4 ]
  • [ 84392-17-6 ]
Reference: [1] Patent: US2001/20110, 2001, A1,
  • 11
  • [ 16419-60-6 ]
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Reference: [1] Synthesis, 2002, # 8, p. 1043 - 1046
  • 12
  • [ 610-94-6 ]
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Reference: [1] Journal of Medicinal Chemistry, 2001, vol. 44, # 26, p. 4677 - 4687
  • 13
  • [ 85-44-9 ]
  • [ 84392-17-6 ]
Reference: [1] Patent: US2012/16152, 2012, A1,
  • 14
  • [ 35118-50-4 ]
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Reference: [1] Patent: US2012/16152, 2012, A1,
  • 15
  • [ 88-65-3 ]
  • [ 84392-17-6 ]
Reference: [1] Organic and Biomolecular Chemistry, 2015, vol. 13, # 43, p. 10745 - 10750
  • 16
  • [ 6630-33-7 ]
  • [ 84392-17-6 ]
Reference: [1] Tetrahedron Letters, 2001, vol. 42, # 37, p. 6523 - 6526
  • 17
  • [ 19312-06-2 ]
  • [ 84392-17-6 ]
Reference: [1] Organic Preparations and Procedures International, 1995, vol. 27, # 3, p. 367 - 372
[2] Organic Preparations and Procedures International, 1995, vol. 27, # 3, p. 367 - 372
  • 18
  • [ 98-56-6 ]
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Reference: [1] Organic Preparations and Procedures International, 1995, vol. 27, # 3, p. 367 - 372
[2] Organic Preparations and Procedures International, 1995, vol. 27, # 3, p. 367 - 372
  • 19
  • [ 84392-18-7 ]
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Reference: [1] Organic Preparations and Procedures International, 1995, vol. 27, # 3, p. 367 - 372
  • 20
  • [ 610-97-9 ]
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Reference: [1] Journal of Organic Chemistry, 2014, vol. 79, # 19, p. 8960 - 8967
  • 21
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Reference: [1] Organic Preparations and Procedures International, 1995, vol. 27, # 3, p. 367 - 372
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Reference: [1] Organic Preparations and Procedures International, 1995, vol. 27, # 3, p. 367 - 372
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