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[ CAS No. 98349-23-6 ] {[proInfo.proName]}

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Chemical Structure| 98349-23-6
Chemical Structure| 98349-23-6
Structure of 98349-23-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 98349-23-6 ]

CAS No. :98349-23-6 MDL No. :MFCD00082478
Formula : C7H4F3NO Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W :175.11 Pubchem ID :-
Synonyms :

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Application In Synthesis of [ 98349-23-6 ]

* 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.

  • Downstream synthetic route of [ 98349-23-6 ]

[ 98349-23-6 ] Synthesis Path-Downstream   1~2

  • 2
  • [ 88419-56-1 ]
  • [ 98349-23-6 ]
YieldReaction ConditionsOperation in experiment
With ammonium hydroxide In dichloromethane at 0 - 20℃; for 2.5h; 4.3.1. Preparation of 2,4,5-trifluorobenzamide (2a) (UIAA-I-061) General procedure: Commercially available 2,4,5-trifluorobenzoic acid (1a) (10.1 g,57.4 mmol) was dissolved in 100 mL of distilled DCM and stirred underargon atmosphere. Oxalyl chloride (5.0 mL, 58.300 mmol) was thenadded to the stirring mixture, the solution was allowed to stir for 5 minat room temperature. Anhydrous DMF (0.45 mL, 5.8 mmol) was added,dropwise, to the stirring solution over 35 s, the resulting solution wasallowed to stir at room temperature for 2 h. The DCM was removedfrom the reaction mixture by rotary evaporation, the resulting oil wasreconstituted in 100 mL of DCM and placed in an ice bath to coolto ~ 0 °C. Ammonium hydroxide (40 mL, 28-30% ammonia) wasadded, dropwise, to the cool stirring solution over 2 min, the resultingmixture was allowed to stir for 2.5 h, gradually warming up to roomtemperature. The product was extracted by washing the aqueous layerwith 100 mL of DCM and then 150 mL of ethyl acetate. The organiclayers were pooled and concentrated by rotary evaporation, the resultingsolid was triturated with 9:1 hexanes:ethyl acetate and subjectedto vacuum filtration, which yielded UIAA-I-061 (2a) as a pureyellow solid. 84% yield. 1H NMR (300 MHz, CDCl3) δ = 8.01 (ddd,J = 7.17, 8.94, 10.62 Hz, 1H), 7.05 (ddd, J = 6.05, 9.51, 10.83 Hz,1H), 6.66 (bs, 1H), 6.03 (bs, 1H). 19F NMR (282 MHz, CDCl3)δ = -113.67 (m, 1F), -125.90 (ddd, J = 9.08, 17.12, 21.57 Hz, 1F),-140.15 (m, 1F). HRMS (ESI) calculated for (M + H+) 176.0318,found 176.0323. Retention time (analytical HPLC) = 12.3 min
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