Each compound has different characteristics, and only by selecting the characteristics of the compound suitable for a specific situation can the compound be applied on a large scale. 1613191-73-3, name is Allyl 3,5-diamino-1H-pyrazole-4-carboxylate, This compound has unique chemical properties. The synthetic route is as follows., COA of Formula: C7H10N4O2
[0456] 1,1,3,3-tetramethoxypropane 35a (20 g, 121.8mmol) was dissolved in water (200 ml). p-Toluenesulphonicacid monohydrate (23.17 g, 121.8 mmol) was added and themixture stirred at 19-20 C. for 90 minutes. 1-(Chloromethyl)-4-fluoro-1 ,4-diazoniabicyclo[2.2.2]octane ditetrafluoroborate37 (Selectfluor, 1.4 eqv, 60.4 g, 170.5 mmol)was added portionwise. The addition was endothermic (20.1 oC. to 19.4 C.) however the temperature began to rise slowlyonce the addition was complete (temp increased to 25.4 C.over 45 minutes). The selectfluor dissolved over 1 hr. Themixture was allowed to stir at ambient temperature for 18 hrs.The mixture was homogeneous after this time. DMSO (150ml) was added slowly over 5 minutes. The addition wasexothermic-the temperature increased from 20.4 C. to34.2 C. during the addition. The mixture then began to cool.The resulting mixture was stirred for 45 minutes. Compound3 (21.4 g, 115.7 mmol) was then added portionwise. Theaddition was not exothermic. The mixture was heated to 85C. for 4 hrs (Lc/Ms profile was identical at 2 hr and 4 hr timepoints). The stirred mixture was then allowed to cool to ambienttemperature overnight. The resulting reaction mixturewas a slurry. Water (150 ml) was added slowly to the resultingslurry. The temperature increased from 20.4 C. to 21.5 C.The slurry was stirred for 2 hrs, and then the product wasisolated by filtration. The cake was washed with water anddried on the sinter to a beige solid (15.5 g). The product wasfurther dried in a vac oven at 40 C. for 20 hrs. This gavecompound 4a as a beige solid (13.5 g, 50% yield). HPLCpurity 97.7% area; 1H NMR (500 MHz, DMSO-d6) o 4.83(2H, d), 5.29 (lH, d), 5.49 (lH, d), 6.04-6.14 (lH, m), 6.57(2H, brs), 8.80 (lH, m), 9.40 (lH, m); 19F NMR (500 MHz,DMSO-d6) o -153.1.
Chemical properties determine the actual use. Each compound has specific chemical properties and uses. We look forward to more synthetic routes in the future to expand reaction routes of 1613191-73-3.
Reference:
Patent; Charrier, Jean-Damien; Davis, Christopher John; Fraysse, Damien; Etxebarria I Jardi, Gorka; Pegg, Simon; Pierard, Francoise; Pinder, Joanne; Studley, John; Zwicker, Carl; Sanghvi, Tapan; Waldo, Michael; Medek, Ales; Shaw, David Matthew; Panesar, Maninder; Zhang, Yuegang; Alem, Naziha; US2015/158872; (2015); A1;,
Pyrazole – Wikipedia,
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