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[ CAS No. 530-78-9 ]

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Chemical Structure| 530-78-9
Chemical Structure| 530-78-9
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Product Details of [ 530-78-9 ]

CAS No. :530-78-9 MDL No. :MFCD00002422
Formula : C14H10F3NO2 Boiling Point : 373.9°C at 760 mmHg
Linear Structure Formula :- InChI Key :N/A
M.W :281.23 g/mol Pubchem ID :3371
Synonyms :

1. Flufenamic acid

Safety of [ 530-78-9 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P264-P270-P280-P301+P310+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P405-P501 UN#:2811
Hazard Statements:H301-H315-H319 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 530-78-9 ]

  • Upstream synthesis route of [ 530-78-9 ]
  • Downstream synthetic route of [ 530-78-9 ]

[ 530-78-9 ] Synthesis Path-Upstream   1~12

  • 1
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Reference: [1] Journal of the American Chemical Society, 1960, vol. 82, p. 1600 - 1607
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YieldReaction ConditionsOperation in experiment
55% With water; potassium hydroxide In ethanol at 100℃; Inert atmosphere To a solution of the methyl ester (1 equiv) in EtOH (0.2 M) was added KOH (2 equiv per ester) in water (0.2 M) at room temperature. The reaction mixture was allowed to stir at 100 °C for 1-6 h. Once the reaction appeared complete by TLC analysis, EtOH was evaporated from the reaction mixture, the resultant solution was cooled to 0 °C and acidified to pH 2 w 2M aq HCl. The resultant precipitated product was collected by vacuum filtration and washed with water.
55% With water; potassium hydroxide In ethanol at 100℃; General procedure: To a solution of the methyl ester (1 equiv) in EtOH (0.2 M)was added KOH (2 equiv per ester) in water (0.2 M) at roomtemperature. The reaction mixture was allowed to stir at 100°C. for 1-6 h. Once the reaction appeared complete by TLC analysis, EtOH was evaporated from the reaction mixture, the resultant solution was cooled to 0° C. and acidified to pH 2w 2M aq Rd. The resultant precipitated product was collected by vacuum filtration and washed with water. Reaction of flufenamic acid methyl ester according to general procedure B provided flufenamic acid (Compound 1) as a white solid (55percent yield).
1H NMR (DMSO, 500 MHz): δ=13.14 (bs, 1H), 9.66 (s, 1H), 7.93 (d, J=7.9 Hz, 1H), 7.40-7.60 (m, 4H), 7.25-7.36 (m, 2H), 6.89 (t, J=7.5 Hz, 1H).
13C NMR (DMSO, 125 MHz): δ=169.5, 145.4, 142.0, 134.1, 131.9, 130.5, 123.7, 118.9, 118.5, 116.3, 114.9, 114.5. HRMS (ES) Calcd. for C14H10F3NO2: 280.0585 (M-H-).
found 280.0590 (M-H-).
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2011, vol. 21, # 5, p. 1464 - 1468
[2] Journal of Medicinal Chemistry, 2012, vol. 55, # 5, p. 2311 - 2323
[3] Patent: US9271961, 2016, B2, . Location in patent: Page/Page column 58; 59
[4] Patent: US5462952, 1995, A,
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Reference: [1] Tetrahedron Letters, 1997, vol. 38, # 29, p. 5107 - 5110
[2] Synthetic Communications, 1989, vol. 19, # 11-12, p. 2077 - 2080
[3] Journal of the American Chemical Society, 1960, vol. 82, p. 1600 - 1607
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  • [ 88-67-5 ]
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Reference: [1] Journal of the Chemical Society, 1948, p. 32,33[2] Journal of the Chemical Society, 1946, p. 116
[3] Journal of Organic Chemistry, 2014, vol. 79, # 16, p. 7451 - 7458
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  • [ 17763-70-1 ]
  • [ 98-16-8 ]
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Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2011, vol. 21, # 5, p. 1464 - 1468
[2] Journal of Medicinal Chemistry, 2012, vol. 55, # 5, p. 2311 - 2323
[3] Patent: US9271961, 2016, B2,
  • 6
  • [ 98-16-8 ]
  • [ 16497-87-3 ]
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Reference: [1] Arzneimittel-Forschung/Drug Research, 1983, vol. 33, # 4 A, p. 621 - 627
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Reference: [1] Archiv der Pharmazie, 2007, vol. 340, # 1, p. 32 - 40
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Reference: [1] Archiv der Pharmazie, 1991, vol. 324, # 11, p. 887 - 890
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Reference: [1] Archiv der Pharmazie, 1991, vol. 324, # 11, p. 887 - 890
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Reference: [1] Archiv der Pharmazie, 1991, vol. 324, # 11, p. 887 - 890
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Reference: [1] Archiv der Pharmazie, 1991, vol. 324, # 11, p. 887 - 890
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Reference: [1] Archiv der Pharmazie, 1991, vol. 324, # 9, p. 547 - 550
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