[ CAS No. 758709-44-3 ] {[proInfo.proName]}

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Quality Control of [ 758709-44-3 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 758709-44-3 ]

Product Details of [ 758709-44-3 ]

CAS No. :	758709-44-3	MDL No. :	MFCD03419772
Formula :	C₉H₉F₃N₂O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	234.18	Pubchem ID :	-
Synonyms :

Safety of [ 758709-44-3 ]

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P280-P301+P312-P302+P352-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H335	Packing Group:
GHS Pictogram:

Application In Synthesis of [ 758709-44-3 ]

* 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 [ 758709-44-3 ]

[ 758709-44-3 ] Synthesis Path-Downstream 1~8

1
[ 10575-90-3 ]
[ 758709-44-3 ]
[ 758709-60-3 ]

Yield	Reaction Conditions	Operation in experiment
15%	With potassium carbonate In dichloromethane at 0℃; for 2.25h;

Reference： [1]Tomilov, Yury V.; Guseva, Ekaterina V.; Kostuchenko, Irina V.; Ugrak, Bogdan I.; Shulishov, Evgeny V.; Nefedov, Oleg M. [European Journal of Organic Chemistry, 2004, # 14, p. 3145 - 3153]

2
[ 383-63-1 ]
[ 52773-23-6 ]
1-(1,3-dimethyl-1H-pyrazol-4-yl)-4,4,4-trifluoro-1,3-butanedione [ No CAS ]

Reference： [1]Chemistry of Heterocyclic Compounds,2011,vol. 47,p. 695 - 699
[2]Dyes and Pigments,2019,vol. 163,p. 291 - 299

3
[ CAS Unavailable ]
[ 1662-01-7 ]
[ 758709-44-3 ]
[ CAS Unavailable ]

Yield	Reaction Conditions	Operation in experiment
38%	With sodium hydroxide In ethanol; water at 40 - 50℃; for 4h;	2.2. Synthesis Stock 0.5M solution of EuCl3 was prepared by the treatment of Eu2O3(4.400 g, 12.50 mmol) by minimum amount of concentrated HCl in aquartz crucible. The resulting solution was evaporated to dryness at 90 °Cand the residue was dissolved in a minimum amount of distilled water.After that, the solution was transferred quantitatively to a volumetric flaskand the volume was adjusted to 50 mL. This solution was then kept in apolypropylene flask. To a stirred warm (40 °C) solution of the ligand(3 mmol) and (1 mmol) bathophenanthroline (0.33 g) in 30 mL of ethanol,2 mL of an 0.5M aqueous solution of EuCl3 (1 mmol) were added dropwise,followed by careful addition of 3 mL (3 mmol) of an 1.0M NaOHsolution in water until the pH of the mixture reached 6-7. The mixture washeated at 50 °C during 4 h in a closed flask and cooled. Further operationsdepended upon the properties of the reaction products.

Reference： [1]Korshunov; Ambrozevich; Taydakov; Vashchenko; Goriachiy; Selyukov; Dmitrienko [Dyes and Pigments, 2019, vol. 163, p. 291 - 299]

4
[ 366-18-7 ]
[ CAS Unavailable ]
[ 758709-44-3 ]
[ CAS Unavailable ]

Yield	Reaction Conditions	Operation in experiment
67%	With sodium hydroxide In methanol at 60℃; for 2h;	Synthesis of tris-(1-(1,3-dimethyl-1H-pyrazol-4-yl)-4,4,4-trifluorobutane-1,3-dionato)(2,2'-bipyridine) samarium(III) [Sm(L)3bipy]. The [HL] (0.351 g, 1.5 mmol) and 2,2-bipyridine [bipy] (0.08 g,0.5 mmol) ligands were dissolved in methanol (15 ml), and a 0.5Msolution of SmCl3 (1 ml) was poured in with subsequent addition of a1MNaOH solution (1.5 ml). Both solutions were introduced dropwiseat stirring. The resulting yellow solution was filtered, kept at 60 Cfor 2 h, and then stored at room temperature (Fig. 1). The crystals formed within 4 days of storage in an open beakerwere collected, washed with 1 ml of cold 2-propanol-water mixture (1:3), and dried to constant weight at 45 °C and 0.1 Torr. The yield ofthe light-yellow crystalline powder was 0.337 g (67%). For C37H32F9N8O6Sm (FW 1006.04)Calcd., % : C,44.17; H, 3.21; N, 11.14; Sm, 14.95.Found, % : C,44.23; H, 3.26; N, 11.22; Sm, 15.14.

Reference： [1]Sizov; Komissar; Metlina; Aminev; Ambrozevich; Nefedov; Varaksina; Metlin; Mislavskií; Taydakov [Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2020, vol. 225]

5
[ 66-71-7 ]
[ CAS Unavailable ]
[ 758709-44-3 ]
[ CAS Unavailable ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydroxide In methanol at 60℃; for 2h;	Synthesis of tris-(1-(1,3-dimethyl-1H-pyrazol-4-yl)-4,4,4-trifluorobutane-1,3-dionato)(1,10-phenanthroline) samarium(III)[Sm(L)3phen] The [HL] (0.351 g, 1.5 mmol) and 1,10-phenanthroline[phen] (0.09 g, 0.5 mmol) ligands were dissolved in methanol(15 ml), and a 0.5M solution of SmCl3 (1 ml) was poured in withsubsequent addition of a 1M NaOH solution (1.5 ml). Both solutionswere introduced dropwise at stirring. The resulting yellow mixturewas filtered, kept at 60 °C for 2 h, and then stored at room temperature.The crystals formed within 4 days of storage in an open beakerwere collected, washed with 1 ml of cold 2-propanol-water mixture(1:3), and dried to constant weight at 45 °C and 0.1 Torr. Theyield of the light-yellow fine crystalline powder was 0.273 g (52%).The complex was additionally purified by recrystallization from theMeCN-Et2O mixture. Single crystals suitable for X-ray diffractionexperiments were obtained by slow diffusion of Et2O vapour into asaturated solution of the complex in MeCN (Fig. 2). For C39H32F9N8O6Sm (FW 1030.06) Calcd., % : C,45.47; H, 3.13; N, 10.88; Sm, 16.60.Found, % : C,45.53; H, 3.29; N, 11.08; Sm, 17.02.

6
[ 66-71-7 ]
neodymium(III) chloride [ No CAS ]
1-(1,3-dimethyl-1H-pyrazol-4-yl)-4,4,4-trifluoro-1,3-butanedione [ No CAS ]
tris(1-(1,3-dimethyl-1H-pyrazol-4-yl)-4,4,4-trifluorobutane-1,3-dionato)(1,10-phenanthroline)neodymium(III) [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
67%	With sodium hydroxide In ethanol at 20 - 55℃; for 26h;	2.2.1. Complex a Neodymium oxide Nd2O3 (99.99%, 2.102 g, 6.25 mmol) was dissolvedin a minimum amount of concentrated HCl (high purity grade),and the solution was evaporated to dryness on a water bath andtransferred to a volumetric flask. The volume was brought to 25 mLwith deionized water to obtain a 0.5 M stock solution of NdCl3.Ligands 1-(1,3-dimethyl-1H-pyrazol-4-yl)-4,4,4-trifflluorobutane-1,3-dione (HL1) (0.351 g, 1.5 mmol) and 1,10-phenanthroline (0.09 g,0.5 mmol) were dissolved in warm ethanol (8 mL); 0.5 M solution ofNdCl3 (1 mL) followed by 1 M NaOH (1.5 mL) were added dropwisewith stirring. The greenish-blue solution that formed was filtered,stored at 55 C for 2 h, and left to stand for 24 h at room temperature.Then, the solvent was evaporated to dryness at reduced pressure, andthe residue was extracted with 30 mL of warm acetone. The solutionwas filtered and left in an open beaker at room temperature. Afterevaporation of the solvent, the glassy residue was re-dissolved in aminimum amount of warm MeCN. Crystallization was induced bycareful addition of an equal volume of Et2O with rubbing the wallsby a glass rod. The pale greenish powder was separated, washed withhexane and dried at reduced pressure (50 C and 0.1 Torr) to constantweight. The yield was 0.347 g (67%).For C39H32F9N8NdO6 (FW 1023.95)Calcd., %: C, 45.75; H, 3.15; N, 10.94; Nd, 14.09.Found, %: C, 45.91; H, 3.23; N, 11.09; Nd, 14.24.IR (cm-1): 1657, 1540, 1465, 1345.NMR assignment: 1H NMR (CD2Cl2), (ppm): -0.6 (br. s, 9H, C-CH3), 1.26 (br. s, 2H, 2H-phen), 3.92 (br. s, 9H, N-CH3), 5.89 (br. s,2H, 3H/4H-phen), 6.15 (br. s, 2H, 3H/4-phen), 6.52 (br. s, 2H, 6Hphen),9.46 (br. s, 3H, 5H-pyr), 10.88 (br. s, 3H, CH-acac). 19F{1H}NMR (CD2Cl2), (ppm): -75.68 (s, CF3).

Reference： [1]Ambrozevich, S. A.; Aminev, D. F.; Datskevich, N. P.; Dmitrienko, A. O.; Goryachii, D. O.; Lyssenko, K. A.; Metlin, M. T.; Metlina, D. A.; Pavlov, A. A.; Selyukov, A. S.; Taydakov, I. V. [Dyes and Pigments, 2020, vol. 181]

7
[ 66-71-7 ]
[ CAS Unavailable ]
[ 758709-44-3 ]
[ CAS Unavailable ]

Yield	Reaction Conditions	Operation in experiment
61%	With sodium hydroxide In ethanol; water at 50℃; for 1h;	2.3.3. Synthesis of tris(1(1,3dimethyl1Hpyrazol4yl)4,4,4trifluoro-1,3-butanedionato)(1,10-phenanthroline) praseodymium(III) PrL23Phen To the solution of ligand HL2 (0.35 g, 1.5 mmol) and 1,10-phenanthroline (0.09 g, 0.5 mmol) in 10 mL of 96% ethanol 1 mLof a PrCl3 solution was added dropwise with stirring. The resultingsolution was heated to 50 C, and then a 1 M NaOH aqueous solution(1.5 mL) was added slowly. The obtained solution was kept at50 C for 1 h with continuous stirring and then cooled to room temperature.The solvent was removed under reduced pressure, andthe resulting solid was extracted with warm CH2CH2 (50 mL).The extract was dried over MgSO4, filtered, and evaporated to avolume of 2 mL. The complex was precipitated by slow additionof heptane with stirring and then purified by recrystallization fromthe MeCN=Et2O mixture. The yield was 0.31 g (61%) of light greencrystalline powder. The resulting structure is shown in Fig. 2.Calcd. for C39H32N8O6Pr (%): C, 45.90; H, 3.16; N, 10.98; Pr,13.81.Found (%): C, 46.12; H, 3.28; N, 10.79; Pr, 13.96.IR m (cm1): 1669, 1531, 1470, 1342.

Reference： [1]Ambrozevich, S. A.; Golovanov, I. S.; Gontcharenko, V. E.; Korshunov, V. M.; Metlin, M. T.; Selyukov, A. S.; Taydakov, I. V. [Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2021, vol. 260]

8
[ 123334-20-3 ]
[ 64-17-5 ]
[ 7732-18-5 ]
[ 758709-44-3 ]
[ CAS Unavailable ]

Yield	Reaction Conditions	Operation in experiment
78 %	Stage #1: vanadyl(IV) sulphate pentahydrate; water; 1-(1,3-dimethyl-1H-pyrazol-4-yl)-4,4,4-trifluorobutane-1,3-dione In methanol at 45℃; Stage #2: With sodium hydroxide In methanol Reflux; Stage #3: ethanol	2.2. Synthesis of oxidovanadium(IV) complexes 1-6 General procedure: To a warm (45 C) stirred solution of corresponding diketone(2.0 mmol) in 10 mL of MeOH, a solution of VOSO4• 5 H2O (0.253 g,1.0 mmol) in 2 mL of hot distilled water was added slowly, and theresulted solution was stirred for 10 min. Then 2 mL of 1.0 M NaOHaqueous solution was added dropwise, and the resulted mixture wasfirstly brought to boil and refluxed for 10 min, then cooled. The crystallineprecipitate was collected, washed successively by 5 mL of coldwater/MeOH mixture (1:1 by volume), 10 mL of distilled water and5 mL of hexanes and dried to a constant weight in air. Complexes werepurified by recrystallyzation from appropriate solvent (preferably MeCNor acetone; complex 6 was recrystallized from DMSO-EtOH mixture) anddried to a constant weight at 40 C and 0.1 torr.

Reference： [1]Di Giuseppe, Andrea; Taglieri, Francesco; Taydakov, Ilya V.; Belousov, Yuriy A.; Kiskin, Mikhail A.; Kurganskii, Ivan V.; Fedin, Matvey V.; Crucianelli, Marcello [Catalysis Today, 2023, vol. 423]

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[ CAS No. 758709-44-3 ] {[proInfo.proName]}

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[ 758709-44-3 ] Synthesis Path-Downstream 1~8

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