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Chemical Structure| 868071-17-4 Chemical Structure| 868071-17-4

Structure of 868071-17-4

Chemical Structure| 868071-17-4

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Product Details of [ 868071-17-4 ]

CAS No. :868071-17-4
Formula : C10H9F3O3
M.W : 234.17
SMILES Code : O=C(O)C[C@@H](O)CC1=CC(F)=C(F)C=C1F
MDL No. :MFCD09833198

Safety of [ 868071-17-4 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 868071-17-4 ]

* 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 [ 868071-17-4 ]

[ 868071-17-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 868071-17-4 ]
  • [ 486460-21-3 ]
  • [ 1352613-30-9 ]
YieldReaction ConditionsOperation in experiment
With diisopropyl-carbodiimide; In dichloromethane; at 16 - 25℃; for 6h; Example 5: Preparation of 7-((S)-3-hydroxy-4-(2,4,5-trifluorophenyl)butyryl)-(<strong>[486460-21-3]3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine</strong> (formula 7) [Show Image] 35 g of compound of formula 6a and 28.3 g of compound of formula 8 were dissolved in 364 mL dichloromethane, forming clear solution, which was pre-cooled to 16 C before adding of 23.5 mL N,N'-diisopropylcarbodiimide. During gradual addition (15 min) of carbodiimide, the temperature was maintained between 20 C to 25 C applying external cooling. After the addition, the reaction mixture was stirred at 23 C for 3 h and then aged 3 h at 0 C, forming white suspension of precipitated N,N'-diisopropylurea. Suspension was filtered and the precipitate was washed with 2 x 50 mL dichloromethane. Clear, yellowish-brown filtrate was washed with 360 mL of diluted hydrochloric acid (obtained from 350 mL of water and 7.0 mL of 6 N HCl), 380 mL 0.5 % aqueous sodium bicarbonate, and 350 mL water. Organic phase was evaporated at 50 C and 2 mbar, obtaining 58.4 g of clear, pale-brownish amber-like product of compound of formula 7, which solidified on standing. 1H NMR (DMSO-d6): delta 2.45-2.48(m, 1H), 2.65-2.78 (m,3H), 3.53-3.55(m, 2H), 3.96-4.21 (m,3H), 4.85-5.05(m,2H), 7.35-7.40 (m, 2H).
 

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