Home Cart 0 Sign in  

[ CAS No. 1221172-05-9 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1221172-05-9
Chemical Structure| 1221172-05-9
Structure of 1221172-05-9 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 1221172-05-9 ]

Related Doc. of [ 1221172-05-9 ]

Alternatived Products of [ 1221172-05-9 ]

Product Details of [ 1221172-05-9 ]

CAS No. :1221172-05-9 MDL No. :MFCD18910658
Formula : C6H4ClF3N2O Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 212.56 Pubchem ID :-
Synonyms :

Safety of [ 1221172-05-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1221172-05-9 ]

* 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 [ 1221172-05-9 ]
  • Downstream synthetic route of [ 1221172-05-9 ]

[ 1221172-05-9 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 1221172-05-9 ]
  • [ 135900-33-3 ]
YieldReaction ConditionsOperation in experiment
89.4% With palladium 10% on activated carbon; ammonium formate In methanol at 55℃; for 16 h; [00537] A mixture of 81(2.00 g, 9.43 mmols, 1.0 eq), Pd/C (10percent, 1.0 g), HCOONH4 (1.2 g, 18.9 mmols, 2.0 eq.) in MeOH (20 mL) was heated to 55 °C for 16 hours. The reaction mixture was cooled to room temperature, filtered through celite, and the filtrate was concentrated. The residue was partitioned between ethyl acetate (100 mL) and NaOH (4percent in water, 30 mL). The organic layer were washed with brine, dried over Na2SO4, filtered, and concentrated to afford the desired product 82 (1.50 g, 8.38 mmols, 89.4percent) as a yellow oil.
85% With ammonium formate In methanol at 55℃; for 16 h; 3-Amino-6-trifluoromethoxypyridine (52); At 25 0C, palladium (10percent on charcoal, 700 mg) was added with stirring to a solution of 3-amino-2-chloro-6-trifluoromethoxypyridine (51, 1.3 g, 6.1 mmol, 1 eq) and ammonium formate (770 mg, 12.1 mmol, 2 eq) in methanol (20 mL). The reaction mixture was stirred for 16 h at 55 0C before being filtrated under suction and the filtrate evaporated. The residue was partitioned between ethyl acetate (2χ 30 mL) and an aqueous solution of sodium hydroxide (4percent, 30 mL). The combined organic layers were dried over sodium sulfate before being evaporated to afford pure 3-amino-6- trifluoromethoxypyridine (52, 920 mg, 5.2 mmol, 85percent) as colorless crystals; m.p. 31-330C.1H NMR (CDCl3, 300 MHz): δ = 7.66 (d, J= 2.9 Hz, 1 H), 6.97 (dd, J= 8.6, 2.9 Hz, 1 H), 6.76 (d, J = 8.6, 1 H), 3.55 (bs, 2 H). - 19F NMR (CDCl3, 282 MHz): δ = -57.7 - 13C NMR (CDCl3, 75 MHz): δ = 148.8, 141.6, 133.9, 125.8, 120.3 (q, J = 257 Hz), 114.3. - C6H5F3N2O (178): calcd. (percent) C 40.46, H 2.83, N 15.73; found C 40.00, H 2.92, N 15.37.
Reference: [1] Patent: WO2016/144792, 2016, A1, . Location in patent: Paragraph 00537
[2] Patent: WO2010/40461, 2010, A1, . Location in patent: Page/Page column 49
[3] European Journal of Organic Chemistry, 2010, # 31, p. 6043 - 6066
Same Skeleton Products
Historical Records