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[ CAS No. 60406-75-9 ] {[proInfo.proName]}

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Product Details of [ 60406-75-9 ]

CAS No. :60406-75-9 MDL No. :MFCD11847494
Formula : C3H2F3N3 Boiling Point : -
Linear Structure Formula :- InChI Key :KZAQTVQJVOALDK-UHFFFAOYSA-N
M.W : 137.06 Pubchem ID :18944011
Synonyms :

Safety of [ 60406-75-9 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 60406-75-9 ]

* 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 [ 60406-75-9 ]
  • Downstream synthetic route of [ 60406-75-9 ]

[ 60406-75-9 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 383-63-1 ]
  • [ 3473-63-0 ]
  • [ 60406-75-9 ]
YieldReaction ConditionsOperation in experiment
66%
Stage #1: With hydrazine hydrate In methanol; ethanol at 0 - 20℃;
Stage #2: at 80℃; for 2.5 h;
Hydrazine monohydrate (4.8 g, 96 mmol) was dissolved in industrial methylated spirits (160 ml_) and cooled to 0 0C before ethyl trifluoroacetate (14 g, 100 mmol; Aldrich Chemical Company, Inc., Milwaukee, Wl) was added dropwise. The resulting reaction mixture was then warmed to ambient temperature and stirred for 1 hour. After this time, the solvent was removed under vacuum and the residue re-dissolved in industrial methylated spirits (100 ml_). Formamidine acetate (9.9 g, 95 mmol; Aldrich Chemical Company, Inc., Milwaukee, Wl) was then added and the reaction mixture heated to 80 0C for 2.5 hours. The reaction was then cooled to ambient temperature and the solvent removed under vacuum. To the residue was then added NaHCO3 (aq.) (100 ml_), and the product was extracted with ethyl acetate (2 x 100 ml_), dried over MgSO4, filtered and the solvent removed under vacuum. The crude product was then purified by flash chromatography (1 :3 hexane/ethyl acetate), giving -10 g of a pale peach oil, which crystallised on standing overnight. The crystals were then filtered, washed with hexane and dried overnight in an oven to afford (1-15a) as colorless crystals (8.73 g, 66 percent yield): 1H NMR (400 MHz, DMSO-d6): δ 8.81 (1 H).
20%
Stage #1: With hydrazine hydrate In ethanol at 0℃; for 2 h; Inert atmosphere
Stage #2: at 0℃; for 4 h; Inert atmosphere
To a stirred solution of hydrazine hydrate (3.52 g, 70.42 mmol) in EtOH (15 mL) under argon atmosphere efliyi 2. 2, 2-trifluoroacetate ( A; 5 g, 35.21 mniol) in EtOH (10 mL) dro wise for 15 min at 0 °C. The reaction mixture was stirred at 0 °C for 2 h. The volariies were concentrated under reduced pressure. Then the residue was dissolved in EtOH (25 mL.) under argon atmosphere was added forrnirnidamide acetate (3.66 g, 35.21 rnmol) at 0 "C. The reaction mixture was stirred at 0 °C for 4 h. The progress of the reaction was monitored by TLC. The volatiles were concentrated under reduced pressure. The residue was diluted with water (50 mL), basified with saturated sodium bicarbonate solution (50 mL) and extracted with EiOAc (2 x 50 mL). The combmed organic exiracis were dried over anhydrous Na?S0 and concentrated under rediiced ressiiie. The cmde material was purified by silica gel column chromatography (eluenfc 30percent EtOAc Hexane) to afford compound NB (1 g, 7.29 mmol, 20percent) as an off-white solid. 1H NMR (400 MHz, CDC1;): δ 12.60 (br s, 1H), 8.45 (s. Η).
Reference: [1] Patent: WO2010/29461, 2010, A1, . Location in patent: Page/Page column 50-51
[2] Patent: WO2017/117393, 2017, A1, . Location in patent: Page/Page column 356; 357
[3] Patent: WO2007/43677, 2007, A1, . Location in patent: Page/Page column 541-542
[4] Patent: WO2009/32861, 2009, A1, . Location in patent: Page/Page column 118; 119
  • 2
  • [ 1538-08-5 ]
  • [ 3473-63-0 ]
  • [ 60406-75-9 ]
Reference: [1] Patent: EP1710234, 2006, A1, . Location in patent: Page/Page column 62
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