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Chemistry
Organic Building Blocks
Aryls
2-(2-Bromo-4-fluoro-5-nitrophenyl)acetic acid
Chemistry
Organic Building Blocks
Aryls
Bromides Fluorinated Building Blocks Carboxylic Acids Nitroes Benzene Compounds

[ CAS No. 1012879-09-2 ] {[proInfo.proName]}

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Chemical Structure| 1012879-09-2
Chemical Structure| 1012879-09-2
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Product Details of [ 1012879-09-2 ]

CAS No. :1012879-09-2 MDL No. :MFCD28405820
Formula : C8H5BrFNO4 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 278.03 Pubchem ID :-
Synonyms :

Safety of [ 1012879-09-2 ]

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Application In Synthesis of [ 1012879-09-2 ]

* 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.

  • Downstream synthetic route of [ 1012879-09-2 ]

[ 1012879-09-2 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 61150-59-2 ]
  • [ 1012879-09-2 ]
YieldReaction ConditionsOperation in experiment
92% With nitric acid; In ethyl acetate; at -15 - 5℃; for 0.25h; Nitric acid (16.00 mL, 322 mmol) was cooled to -15 C. and treated portion-wise with <strong>[61150-59-2]2-bromo-4-fluorophenylacetic acid</strong> (10.00 g, 42.9 mmol) maintaining an internal temperature of -10 C. to -5 C. Once the addition was complete the mixture was warmed to 5 C. over -15 minutes, poured onto ice (200 mL), stirred vigorously until all of the ice melted, and then filtered and rinsed with water. The resulting solid was dissolved in EtOAc, washed with brine, dried (MgSO4) and concentrated to dryness to afford 2-(2-bromo-4-fluoro-5-nitrophenyl)acetic acid (10.93 g, 92% yield) as a bright yellow solid. 1H NMR (400 MHz, DMSO-d6): delta 8.29 (d, 1H), 8.04 (d, 1H), 3.85 (s, 2H).
92% With nitric acid; at -15 - 5℃; for 0.25h; Example CS: Nitric acid (16.00 mL, 322 mmol) was cooled to -1SC and treatedportion-wise with <strong>[61150-59-2]2-bromo-4-fluorophenylacetic acid</strong> (10.00 g, 42.9 mmol) maintaining aninternal temperature of -10C to -SC. Once the addition was complete the mixture waswarmed to soc over ~ 1S minutes, poured onto ice (200 mL ), stirred vigorously until all of theice melted, and then filtered and rinsed with water. The resulting solid was dissolved inEtOAc, washed with brine, dried (MgS04) and concentrated to dryness to afford 2-(2-bromo-4-fluoro-S-nitrophenyl)acetic acid (10.93 g, 92% yield) as a bright yellow solid. 1H NMR(400 MHz, DMSO-d6): 8 8.29 (d, 1 H), 8.04 (d, 1 H), 3.8S (s, 2 H).
Reference： [1]Patent: US8461179,2013,B1 .Location in patent: Page/Page column 67
[2]Patent: WO2013/184119,2013,A1 .Location in patent: Paragraph 0197
  • 2
  • [ 1012879-09-2 ]
  • [ 1442471-26-2 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: sulfuric acid / 85 °C 2: iron; ammonium chloride / ethanol / 1 h / 55 °C
Multi-step reaction with 2 steps 1: sulfuric acid / 0 °C / Reflux 2: iron; ammonium chloride / ethanol / 1 h / 60 °C
Reference： [1]Current Patent Assignee: DECIPHERA PHARMACEUTICALS LLC - US8461179, 2013, B1 Current Patent Assignee: DECIPHERA PHARMACEUTICALS LLC - WO2013/184119, 2013, A1
[2]Current Patent Assignee: WUHAN JIUZHOU YUMIN PHARMACEUTICAL TECH - CN112625038, 2021, A

Tags: 1012879-09-2 synthesis path| 1012879-09-2 SDS| 1012879-09-2 COA| 1012879-09-2 purity| 1012879-09-2 application| 1012879-09-2 NMR| 1012879-09-2 COA| 1012879-09-2 structure

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