Tag: M.W=0-100

Adding a certain compound to certain chemical reactions, such as: 31108-57-3, name is 1H-Pyrazole-4-carbonitrile, belongs to pyrazoles-derivatives compound, can increase the reaction rate and produce products with better performance than those obtained under traditional synthetic methods. Here is a downstream synthesis route of the compound 31108-57-3, Computed Properties of C4H3N3

Preparation 8 ethyl 2-(4-cyano-lH-pyrazol-l-yl)acetate [0151] Combined lH-pyrazole-4-carbonitrile (0.432 g, 4.64 mmol) in acetone (9.28 mL), potassium carbonate (1.924 g, 13.92 mmol) and ethyl 2-bromoacetate (1.027 mL, 9.28 mmol). The reaction mixture was stirred at room temperature overnight, then concentrated in vacuo, diluted with EtOAc (10 mL), washed with water (10 mL), dried (MgS04) and concentrated in vacuo to give a residue. The residue was purified using flash column chromatography on silica gel (EtOAc in heptane, 10-50% gradient) to give a white solid. The solid was suspended in heptane and then filtered and dried to give the title compound (0.4314 g, 51.9 % yield) as a white solid. XH NMR (400 MHz, DMSO-i) delta ppm 1.21 (t, J=7.20 Hz, 3 H) 4.17 (q, J=7.07 Hz, 2 H) 5.19 (s, 2 H) 8.11 (s, 1 H) 8.57 (s, 1 H). MS m/z [M+H]+ 180.

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Adding a certain compound to certain chemical reactions, such as: 36650-74-5, name is 1H-Pyrazole-3-carbonitrile, belongs to pyrazoles-derivatives compound, can increase the reaction rate and produce products with better performance than those obtained under traditional synthetic methods. Here is a downstream synthesis route of the compound 36650-74-5, Product Details of 36650-74-5

General procedure: A mixture of cyanopyrazole 8 or 11 (0.05 mol), NaN3 (4.23 g, 0.065 mol), triethylamine hydrochloride (8.94 g, 0.065 mol), and toluene (150 ml) was refluxed for 10 h in the case of compound 9 or 8 h in the case of compound 12. The reaction mixture was cooled, stirred, and diluted with 2 (200-500 ml) until complete dissolution of the precipitate. The aqueous layer was separated and acidified with HCl to 1-2. The precipitate that formed was filtered off, washed with cold water, and air-dried. In the case of compound 12, the filtrate was additionally extracted with EtOAc (350 ml), and the organic layer was dried over anhydrous Na2SO4. The solvent was removed under vacuum, providing a second crop of the product. Both precipitates were combined and air-dried. 5-(1-Pyrazol-3(5)-yl)tetrazole (9). Yield 5.37 g (79%), decomp. temp. 272-274C (EtOH). IR spectrum, nu, cm-1: 3379 (s), 3222 (s), 3125 (s), 2975 (m), 2870 (m), 2757 (m), 2637 (s), 2520 (m), 1871 (vs), 1614 (s), 1456 (s), 1347 (w), 1223 (m), 1196 (m), 1068 (s), 1034 (s), 942 (m), 922 (m), 782 (s), 750 (s), 709 (m), 608 (m). Mass spectrum, m/z: 136 [M]+. Found, %: C 35.24; H 2.96; N 61.42. 4H4N6. Calculated, %: C 35.30; H 2.96; N 61.74.

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31108-57-3, name is 1H-Pyrazole-4-carbonitrile, belongs to pyrazoles-derivatives compound, is considered to be a conventional heterocyclic compound, which is widely used in drug synthesis. The chemical synthesis route is as follows. Computed Properties of C4H3N3

3-(3-(4-(chloromethyl)benzyl)isoxazol-5-yl)pyridin-2 -amine (Intermediate B, 80mg, 0.27mmol) and lH-pyrazole-4-carbonitrile (99mg, l .07mmol) were dissolved in NMP (lml). Potassium 2- methylpropane-2-olate (1M in THF, 0.80mL, 0.80mmol) was added and the mixture was stirred for 5min at 60C. The cooled reaction mixture was directly purified by column chromatography (Si02, hexane/ethyl acetate). Fraction containing the product were concentrated under reduced pressure and further purified by HPLC to yield l-(4-((5-(2-aminopyridin-3-yl)isoxazol-3-yl)methyl)benzyl)-lH- pyrazole-4-carbonitrile (66mg, O. l9mmol, 69%) as a white solid. 400 MHz 1 H N R (CDCl3) d 8.13 (dd, J= 5.0, 1.8 Hz, 1H), 7.79 (dd, J= 18.1, 0.7 Hz, 2H), 7.69 (dd, J= 7.7, 1.8 Hz, 1H), 7.35 – 7.25 (m, 2H), 7.27 – 7.17 (m, 2H), 6.70 (dd, J= 7.7, 4.8 Hz, 1H), 6.25 (s, 1H), 5.43 (s, 2H), 5.30 (s, 2H), 4.05 (s, 2H). MS: 357.3 [M+H]+.

The synthetic route of 31108-57-3 has been constantly updated, and we look forward to future research findings.

Adding a certain compound to certain chemical reactions, such as: 36650-74-5, name is 1H-Pyrazole-3-carbonitrile, belongs to pyrazoles-derivatives compound, can increase the reaction rate and produce products with better performance than those obtained under traditional synthetic methods. Here is a downstream synthesis route of the compound 36650-74-5, SDS of cas: 36650-74-5

Reference Production Example 7-2 1-(hydroxymethyl)-3-cyano-1H-pyrazole The mixture of 0.86 g of 3-cyano-1H-pyrazole and 0.55 g of paraformaldehyde was stirred at 130 C for 7 hours. After the reaction mixture was cooled to room temperature, acetone was added to the reaction mixture. After the mixture was filtered, the filterate was concentrated under reduced pressure to obtain 0.89 g of 1-(hydroxymethyl)-3-cyano-1H-pyrazole. 1H-NMR(DMSO-d6,TMS,delta(ppm)):5.54(2H,s),6.70(1H,d),7.72(1H,d)

At the same time, in my other blogs, there are other synthetic methods of this type of compound, 1H-Pyrazole-3-carbonitrile, and friends who are interested can also refer to it.

Reference of 35277-02-2, 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. 35277-02-2, name is 4-Fluoro-1H-pyrazole, This compound has unique chemical properties. The synthetic route is as follows.

Sodium hydride (13.8 g, 0.35 mol, 60% dispersion in mineral oil) was added to a solution of fluoropyrazole (20 g, 0.23 mol) in DMF (200 mL) 0 C. The mixture was stirred at room temperature for 1 h and then 2-bromo-ethanol (43 g, 0.35 mol) was added dropwisely at 0 C. The resulting mixture was stirred at 40 C. for 12 h. TLC (petroleum ether/EtOAc=1:1) indicated the reaction was complete. The mixture was quenched with saturated aqueous NH4Cl (200 mL). Then DMF was removed in vacuo and the residue was partitioned between Et2O (1000 mL) and H2O (1000 mL). The aqueous layer was extracted with more Et2O (4*1 L). The combined organic layers were dried over Na2SO4 and concentrated in vacuum to give compound 6c (20 g, 66%) as a yellow oil. 1H NMR (400 MHz, DMSO-d6) delta ppm 3.69 (t, J=5.56 Hz, 2H), 4.04 (t, J=5.56 Hz, 2H), 4.90 (br. s., 1H), 7.43 (d, J=4.29 Hz, 1H), 7.81 (d, J=4.55 Hz, 1H).

The chemical industry reduces the impact on the environment during synthesis 4-Fluoro-1H-pyrazole. I believe this compound will play a more active role in future production and life.

Adding a certain compound to certain chemical reactions, such as: 930-36-9, name is 1-Methylpyrazole, belongs to pyrazoles-derivatives compound, can increase the reaction rate and produce products with better performance than those obtained under traditional synthetic methods. Here is a downstream synthesis route of the compound 930-36-9, category: pyrazoles-derivatives

Preparation 4 Preparation of 5-(5,5-dimethyl-1 ,3,2-dioxaborinan-2-yl)-1 -methyl-1 H-pyrazoleTo a solution of 1 -methyl pyrazole (4.1 g, 50 mmole) in THF (100 ml.) at 00C was added n-BuLi (2.2M in THF, 55 mmole). The reaction solution was stirred for 1 hour at RT and then cooled to -78C [J. Heterocyclic Chem. 41 , 931 (2004)]. To the reaction solution was added 2-isopropoxy-4,4,5,5-tetramethyl-1 ,3,2-dioxaborolane (12.3 ml_, 60 mmole). After 15 min at -78C, the reaction was allowed to warm to 00C over 1 hour. The reaction was diluted with saturated NH4CI solution and extracted with DCM. The organics were dried over Na2SO4 and concentrated under vacuum to afford a tan solid (8.0 g, 77%) which was used without further purification. LCMS (ES) m/z 127 (M+H)+ for [RB(OH)2]; 1H NMR (CDCI3, 400 MHz) delta 7.57 (s, 1 H), 6.75 (s, 1 H), 4.16 (s, 3H), and 1.41 (s, 12H).

In the field of chemistry, the synthetic routes of compounds are constantly being developed and updated. I will also mention this compound in other articles, 1-Methylpyrazole, other downstream synthetic routes, hurry up and to see.

Related Products of 1904-31-0, A common heterocyclic compound, 1904-31-0, name is 1-Methyl-1H-pyrazol-3-amine, molecular formula is C4H7N3, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, such as complicated route, low yield, poor purity, etc, below Introduce a new synthetic route.

Example E (0238) N-Hydroxy-4-(((1 -methyl-1 H-pyrazol-3-yl)(pyridin-2-yl)amino)methyl)benzamide (0239) (0240) 2-Bromopyridine (1 ) (1.0g, 6.3mmol), 1-methyl-1 H-pyrazol-3-amine (2) (0.79g, 8.2mmol), Xantphos (0.37g, 0.63mmol), and Cs2C03 (4.1g, 12.6mmol) were combined in dry 1 ,4-dioxane (15ml_). The reaction mixture was then degassed with N2(g), and placed under vacuum for 10min. Pd2(dba)3 (0.29g, 0.31 mmol) was added and the resulting reaction mixture was heated at 90¡ãC for 30h. It was then poured onto demineralised water (200ml_), and extracted with EtOAc (3 x 100ml_). The organic phases were combined, dried over Na2S04, filtered and subsequently concentrated in vacuo. The resulting residue was purified by flash chromatography with EtOAc/Hexane (1 : 1) to provide N-(1-methyl-1 H-pyrazol-3-yl)pyridin-2-amine (3) as a yellow solid (0.75g, 68percent). (0241) LCMS (ES): Found 175.2 [M+H]+.

The synthetic route of 1904-31-0 has been constantly updated, and we look forward to future research findings.

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. 3920-50-1, name is Pyrazole-3-carboxaldehyde, This compound has unique chemical properties. The synthetic route is as follows., Computed Properties of C4H4N2O

To a 100 ml three-necked flask, 1.25 g (18 mmol) of hydroxylamine hydrochloride, 1.47 g (18 mmol) of sodium acetate and 40 ml of ethanol were added, and 0.96 g (10 mmol) of 3-formalpyrazole was added thereto with stirring, and the mixture was heated to 50 C for 2 h. After completion of the reaction, a milky white turbid liquid was obtained, which was cooled to room temperature, filtered, and the filtrate was evaporated to give an oily viscous solid, which was dissolved in 50 ml of water.Extract 50 times with 50 ml of ethyl acetate.The organic phase was dried over anhydrous sodium sulfate and filtered.The filtrate was evaporated to dryness to a pale yellow viscous solid, 0.96 g.The yield was 86.8%.

According to the analysis of related databases, 3920-50-1, the application of this compound in the production field has become more and more popular.

Adding a certain compound to certain chemical reactions, such as: 28466-26-4, name is 4-Aminopyrazole, belongs to pyrazoles-derivatives compound, can increase the reaction rate and produce products with better performance than those obtained under traditional synthetic methods. Here is a downstream synthesis route of the compound 28466-26-4, COA of Formula: C3H5N3

10055] A 250-mL 3-neck flask was charged with iH-pyrazol-4-amine (5 g, 60.2 mmol) and dichloromethane (50 mL). The resulting suspension was cooled to 5 C. and triethylamine (9.i3 g, 90.0 mmol) was added, followed by acetic anhydride (7.37 g, 72.2 mmol) at <20 C. The reaction was stirred at room temperature for i 8 hours, at which point thin layer chromatography (Eluent: ethyl acetate) analysis indicated that the reaction was incomplete. Additional triethylamine (4.57 g, 45.0 mmol) and acetic anhydride (3.70 g, 36.0 mmol) were added and the reaction was heated at 30 C. for an additional 3 hours to give a dark solution, at which point thin layer chromatography analysis indicated that only a trace of starting material remained. The reaction mixture was purified by flash column chromatography using ethyl acetate as eluent. The fractions containing pure product were combined and concentrated to dryness to afford an off-white solid. The solid was dried under vacuum at room temperature for i 8 hours (5.55 g, 55%):10056] ?H NMR (400 MHz, DMSO-d5) oe iO.30 (s, iH),8.39 (d, J=0.7 Hz, iH), 7.83 (d, J=0.7 Hz, iH), 2.60 (s, 3H),2.03 (s, 3H); ElMS mlz i67 ([M]j. In the field of chemistry, the synthetic routes of compounds are constantly being developed and updated. I will also mention this compound in other articles, 4-Aminopyrazole, other downstream synthetic routes, hurry up and to see.

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. 288-13-1, name is 1H-Pyrazole, This compound has unique chemical properties. The synthetic route is as follows., Formula: C3H4N2

General procedure: Complex 2 (0.05 mmol) was added to a 5 mL of a sealed tube containing the aryl iodide or bromide (0.5 mmol), 1H-pyrazole (0.75 mmol), NaOH (1 mmol), and DMSO (1 mL). The mixture was stirred at 100 C for 12 h. After being cooled to room temperature, the mixture was quenched with 10 mL H2O and extracted with EtOAc(3 ¡Á 20 mL). The combined EtOAc extracts were dried with anhydrous Na2SO4, filtered and the solvent was removed under reduced pressure.The residue was purified by flash column chromatography on silicagel with PE/EtOAc (from 10:1 to 5:1) as the eluent to afford the pure products. All N-aryl pyrazoles reported here are known products and were characterised by 1H NMR, and GC-MS.

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 288-13-1.