Tag: M.W:100-200

Some common heterocyclic compound, 1018446-95-1, name is tert-Butyl 4-amino-1H-pyrazole-1-carboxylate, molecular formula is C8H13N3O2, 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. 1018446-95-1

Tert-butyl 4-amino-1H-pyrazole-1-carboxylate (24 mg, which was synthesized according to W02008/139161), 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene (21 mg), cesium carbonate (97 mg), and tris(dibenzylideneacetone)dipalladium (0) (16 mg) were added to a solution of the compound 0001-5 (40 mg) in 1,4-dioxane solution (1.2 mL), and the mixture was heated and refluxed for 2 hours under a nitrogen atmosphere. The reaction solution was returned to room temperature, water was added thereto, and the mixture was extracted with a chloroform-methanol mixed solvent. The organic layer was dried over sodium sulfate and the solvent was then evaporated under reduced pressure. To the obtained residue, dichloromethane (1.2 mL) and trifluoroacetic acid (0.18 mL) were added, and the mixture was stirred at room temperature for 6 hours. Then, a saturated aqueous sodium hydrogen carbonate solution was added to the reaction solution, and the mixture was extracted with a chloroform-methanol mixed solvent. The organic layer was dried over sodium sulfate, the solvent was evaporated under reduced pressure, and the residue was purified by silica gel column chromatography (chloroform-methanol) to obtain a compound 0125 (18 mg) as a yellow solid. 1H-NMR (DMSO-d6) delta: 12.80 (1H, bs), 9.58 (1H, s), 9.51 (1H, bd), 8.42-8.41 (2H, m), 8.00 (1H, d), 7.85 (1H, bs), 7.53 (1H, bs), 7.12 (1H, d), 7.03 (1H, d), 4.14-4.03 (1H, m), 1.93-1.46 (8H, m). MS m/z (M+H): 338.

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route 1018446-95-1, its application will become more common.

16209-00-0, 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. 16209-00-0, name is 4-(1H-Pyrazol-1-yl)benzoic acid, This compound has unique chemical properties. The synthetic route is as follows.

An aqueous solution was prepared by adding 4-(1H-pyrazole-1-yl)benzoic acid (0.085 g, 0.454 mmol) to water (50 ml). The complex (108) sulfate, namely, the [Cp*Ir(H2O)3]2+ sulfate, produced in Step 2 (0.20 g, 0.423 mmol) was added to this aqueous solution in an argon atmosphere, and the resultant mixture was heated to reflux for 12 hours in the dark. After the reflux, this solution was filtered through a membrane filter (manufactured by ADVANTEC, made of PTFE (polytetrafluoroethylene)). This filtrate was evaporated to remove moisture therefrom and then was vacuum-dried. Thus, desired iridium mononuclear aqua complex (13) sulfate, namely, [IrCp*(4-(1H-pyrazole-1-yl-kappaN2-)benzoic acid-kappaC3)(H2O)]+ sulfate, was obtained in the form of yellow powder (the yield calculated based on the sulfate of [Cp*Ir(H2O)3]2+/-: 94%). The instrumental analysis values of the [IrCp*(4-(1H-pyrazole-1-yl-kappaN2-)benzoic acid-kappaC3)(H2O)]+ sulfate are shown below. FIG. 22 shows the measurement results obtained by CV (cyclic voltammetry). In order to measure the elementary analysis values, the iridium mononuclear aqua complex (13) was converted to the above-described zero-valent complex (14), which was isolated by crystallization. These elementary analysis values also are shown in FIG. 17.1H-NMR (DMSO-d6, 298 K): delta (ppm) 1.75 (s, eta5-O5(CH3)5, 15H), 6.99 (d, d, J=2.2 Hz, J=2.7 Hz, 1H), 7.84 (d, d, J=8.4 Hz, J=1.5 Hz, 1H), 7.91 (d, J=8.4 Hz, 1H), 8.19 (d, J=1.5 Hz, 1H), 8.33 (d, J=2.2 Hz, 1H), 9.03 (d, J=2.7 Hz, 1H)Elementary analysis values: C20H23N2O3Ir: C, 45.18%; H, 4.36%; N, 5.27%Found: C, 44.90%; H, 4.30% N, 5.11%.

If you are interested in these compounds, you can also browse my other articles.Thank you for taking the time to read this article. I hope you enjoyed it.

13808-64-5, Adding a certain compound to certain chemical reactions, such as: 13808-64-5, name is 4-Bromo-3-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 13808-64-5.

To a solution of 4-bromo-3 -methyl- lH-pyrazole 1 (0.25 g, 1.55 mmol) indimethylformamide (DMF) (30 mL) was added NaH (0.08 g, 3.2 mmol). The mixture was stirred for 0.5 h at room temperature and 2-bromo-5-methyl-l,3-thiazole (0.33 g, 1.86 mmol) was added. The reaction mixture was stirred for 1 h at room temperature. The reaction temperature was raised to 90C and stirred overnight. The reaction was quenched with MeOH and solvent was removed in vacuo. The residue was treated with water and EtOAc. The organic layer was separated and aqueous was extracted with EtOAc. The combined organic phase was dried over Na2S04, filtered, and concentrated to give crude product. The crude product was purified on ISCO columns. Fractions containing pure product were combined and evaporated to give 53 (0.2 g, 50%) as a white solid.

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-Bromo-3-methylpyrazole, other downstream synthetic routes, hurry up and to see.

143426-52-2, As we all know, there are many different methods for the synthesis of a compound, and people can choose the synthesis method that suits their own laboratory according to the actual situation. 143426-52-2 name is 1-(4-(Chloromethyl)phenyl)-1H-pyrazole, This compound is widely used in many fields, so it is necessary to find a new synthetic route. The downstream synthesis method of this compound is introduced below.

4 mmol of the compound IIIb was dissolved in 20 mL of acetonitrile, and intermediate 77 mmol and 8 mmol ofcesium carbonatewere added thereto at room temperature.After heating, the reaction was refluxed for 13 hours.The reaction was stopped, the reaction solution was rotary evaporated to dryness under reduced pressure, the resulting residue was purified by columnseparation and purification to give the title compound analysis Ib

At the same time, in my other blogs, there are other synthetic methods of this type of compound, 1-(4-(Chloromethyl)phenyl)-1H-pyrazole, and friends who are interested can also refer to it.

16034-46-1, name is 1-Methyl-1H-pyrazole-5-carboxylic acid, 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. 16034-46-1

Oleum (1977mmol) is slowly added to fuming nitric acid (777 mmol) followed by the addition of 2-methyl-2H-pyrazole-3-carboxylic acid (277 mmol) in small portions maintaining the reaction temperature below 600C. Stirring at this temperature is then continued for a further 1 h. On completion, the reaction mixture is poured onto crushed ice and extracted with ethyl acetate (300 mL x 3). The combined organic phases are washed with water (250 mL x 2) and dried over anhydrous sodium sulfate. The solvent is removed under reduced pressure to afford 2-methyl-4-nitro-2H-pyrazole-3- carboxylic acid as a light yellow solid. Compound wt: 23.6g, 50%. [0234] 1H NMR (400 MHz, OMSO-d6) delta: 8.29 (lH,s); 3.95 (3H, s).

Statistics shows that 16034-46-1 is playing an increasingly important role. we look forward to future research findings about 1-Methyl-1H-pyrazole-5-carboxylic acid.

These common heterocyclic compound, 118430-73-2, name is 3-(tert-Butyl)-1-methyl-1H-pyrazol-5-amine, 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. 118430-73-2

Pyrazole 5 (673 mg, 4.4 mMol), diisopropylethylamine (684 mg, 5.3 mMol, 1.2 eq.), and DCM (9 mL) were cooled to -10 C. and phenyl chloroformate (750 mg, 4.8 mMol, 1.1 eq.) was added in a single portion. The solution was allowed to warm to 0 C. and stir for 30 min. The solution was partitioned between ether and aqueous sodium bicarbonate and the ether layer was washed with brine. The organic fraction was dried over anhydrous sodium sulfate and the solvent removed in vacuo and the residue purified using silica gel chromatography eluting with ethyl acetate (5%-50%)/hexane. Solvent removal afforded the product (6) as brittle foam (1.0 g, 3.9 mMol, 90% yield), which provided a single peak by LC-MS analysis (M+H=274.1). 1H NMR (400 MHz, CDCl3) delta: 7.4 (dd, J=8.0, 7.6 Hz, 2H), 7.25 (tt, J=7.6 Hz, 1H), 7.18 (d, J=8.0 Hz, 2H), 6.95 (brs, 1H), 6.15 (s, 1H), 3.79 (s, 3H), 1.29 (s, 9H).

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 118430-73-2.

71229-85-1, The chemical industry reduces the impact on the environment during synthesis 71229-85-1, name is 4-Bromo-1-ethyl-1H-pyrazole, I believe this compound will play a more active role in future production and life.

To a degassed (N2 bubbling) solution of 4-bromo-1-ethyl-1H-pyrazole (2 g, 11.42 mmol) in 1,4-dioxane (30 ml) were added 4,4,4′,4′,5,5,5′,5′-octamethyl-2,2′-bi-(1,3,2-dioxaborolane) (4.35 g, 17.14 mmol, 1.5 eq.), Pd(dppf)Cl2 (0.93 g, 1.14 mmol, 0.1 eq.) and potassium acetate (2.79 g, 28.55 mmol, 2.5 eq.) using the procedure of Intermediate Example 1(b). The solvent was distilled off to give the product in 88% yield (2.2 g). LC-MS (ESI): Calculated mass: 222.09; Observed mass: 223.3 [M+H]+ (rt: 0.83 min).

The chemical industry reduces the impact on the environment during synthesis 71229-85-1. I believe this compound will play a more active role in future production and life.

612511-81-6,Some common heterocyclic compound, 612511-81-6, name is (1-Methyl-1H-pyrazol-3-yl)methanamine, molecular formula is C5H9N3, 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.

To the solution of 4-bromo-6-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl) methoxy)-2-methylpyridazin-3(2H)-one (73 mg, 0.2 mmol) in toluene (4 mL) underNz, (1-methyl-1Hpyrazol-3-yl)methanamine (22 mg, 0.2 mmol), Pd2(dba)3 (18 mg, 0.02 mmol), BINAP (18 mg,20 0.03 mmol) and Na01Bu (29 mg, 0.3 mmol) were added. After the reaction mixture was stirred at85 ¡ãC for 4 h, 15 mL water was added. The mixture was extracted with EtOAc (3 x 10 mL). Thecombined organics were dried over MgS04, filtered and concentrated in vacuo. The residue waspurified by Pre-HPLC to afford the title compound as a solid. 1H NMR (400 MHz, MeOD) o8.06 (d, 1H), 7.50(d, 1H), 7.30 (dd, 1H), 7.17 (d, 1H), 6.21 (d, 1H), 5.83 (s, 1H), 4.32 (s, 2H),25 4.18-4.14 (m, 1H), 4.06-4.02 (m, 1H), 3.87 (s, 3H), 3.84 (s, 3H), 3.62 (s, 3H), 2.09 -2.04 (m,1H), 1.76- 1.72(m, 1H), 1.20-1.15 (m, 1H), 1.05-1.00 (m, 1H); LRMS m/z (M+H) 397.2 found,3 97.19 required.

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route 612511-81-6, its application will become more common.

A common heterocyclic compound, 3463-30-7, name is 1-(4-Nitrophenyl)-1H-pyrazole, molecular formula is C9H7N3O2, 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. 3463-30-7.

Compound 11-b (1.0 g, 5.29 mmol) and ammonium chloride (0.7 g, 13.23 mmol) were dissolved in 50percent ethanol-water (20 mL). Zn-powder (0.9 g, 13.23 mmol) was then added. The mixture was refluxed for 30 minutes. After cooled to room temperature, the mixture was filtrated, and the filter cake was washed with ethanol (10 mL). The combined filtrate were concentrated under reduced pressure, and the residue was diluted with water (50 mL) and extracted with ethyl acetate (50 mL¡Á3). The organic layer was dried over anhydrous sodium sulfate. After filtration, the filtrate was concentrated under reduced pressure to give yellow solid 11-a (670 mg, yield: 80percent), which was used directly for the next step without purification. LC-MS (ESI): m/z=160 [M+H]+.

The synthetic route of 1-(4-Nitrophenyl)-1H-pyrazole has been constantly updated, and we look forward to future research findings.

As we all know, there are many different methods for the synthesis of a compound, and people can choose the synthesis method that suits their own laboratory according to the actual situation. 49633-25-2 name is 3-Isopropylpyrazole, This compound is widely used in many fields, so it is necessary to find a new synthetic route. The downstream synthesis method of this compound is introduced below. 49633-25-2

Part A – 4-Bromo-3-isopropylpyrazole To a stirred solution of sodium acetate (19.7 g., 0.24 mole) in acetic acid (100 ml.) and water (15 ml.), 3-isopropylpyrazole (11.0 g., 0.1 mole) was added, followed by dropwise addition of bromine (16.0 g., 0.11 mole) keeping the internal temperature below 15 C. The mixture was kept at 25 C. for 15 hours, treated with water (200 ml.) and extracted with ethyl ether (3 * 50 ml.), and the ether layer washed with water (1 * 50 ml.) dried, (sodium sulfate) and evaporated under reduced pressure. The resultant pale yellow oil was distilled to give 4-bromo-3-isopropylpyrazole (15.3 g., 81%) with a boiling point of 85 C. at 0.06 mm Hg. Analysis: Calc’d. for C6 H9 BrN2: C, 38.11; H, 4.80; N, 14.82; Br, 42.27. Found: C, 37.91; H, 4.89; N, 14.83; Br, 42.15.

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