Tag: M.W:100-200

These common heterocyclic compound, 26621-44-3, name is 3-Nitro-1H-pyrazole, 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. Computed Properties of C3H3N3O2

A solution of 3-nitro-1H-pyrazole (Intermediate 2, 250 mg, 2.21 mmol) was dissolved in anhydrous N,N-dimethylformamide (5 mL) was treated with a 60% dispersion of sodium hydride in mineral oil (93 mg, 2.32 mmol) was added while stirring under nitrogen. After the effervescence ceased, the reaction stirred for an additional 10 min. At this time, the reaction was treated with (2-bromo-ethoxy)-tert-butyl-dimethyl-silane (598 mg, 2.50 mmol). The reaction continued to stir under nitrogen for 2 h. At this time, the solution was diluted with ethyl acetate (200 mL), washed with water (2¡Á75 mL), a saturated aqueous sodium chloride solution (75 mL), dried over magnesium sulfate, filtered and concentrated in vacuo. Silica gel column chromatography (Merck silica gel 60, 40-63 mum; 5-25% ethyl acetate/hexanes) afforded 1-[2-(tert-butyl-dimethyl-silanyloxy)-ethyl]-3-nitro-1H-pyrazole (508 mg, 84%) as a yellow oil. 1H-NMR (400 MHz, DMSO-d6) delta 0.00 (6H, s), 0.86 (9H, s), 4.03 (2H, t, J=5.6 Hz), 4.40 (2H, t, J=5.2 Hz), 7.11 (1H, d, J=2.4 Hz), 8.06 (1H, d, J=2.4 Hz).

The synthetic route of 3-Nitro-1H-pyrazole 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. 3112-31-0, name is 1H-Pyrazole-3,5-dicarboxylic acid, This compound has unique chemical properties. The synthetic route is as follows., Recommanded Product: 3112-31-0

Example 4-15: Synthesis of 5-[(R)-1-(3”Chloro-biphenyl-4-ylmethyl)-2~ethoxycarbonyl- ethylcarbamoyO-1 H-pyrazole-3-carboxyUc acid; To a mixture of Intermediate 17-1 (130 mg, 0.367 mmol), 1H-pyrazole-3,5-dicarboxylic acid (74.5 mg, 0.477 mmol), EDCI (91 mg, 0.477 mmol) and HOBt (64.5 mg, 0.477 mmof) in DMF (3 ml) is added triethylamine (149 mg, 0.203 mmol) and the mixture is stirred at room temperature for 18 hours. Any insoluble material is removed by filtration and the filtrate is chromatographed by HPLC using a gradient of 10percent MeCN/water to 100percent MeCN (+0.1percent TFA). Lyophitization of the proper fractions gives the title compound; HPLC Retention time 1.31 minutes (condition C); MS 456.2 (M+1); 1H NMR (400 MHz, DMSO-d6) delta ppm 1.12 (t, J=7,07 Hz1 3H), 2.54-2.67 (m, 2H)1 2.84-2.97 (m, 2H), 4.02 (q. J=7.07 Hz, 2H), 4.54 (m, 1H)1 7.11 (s, broad, 1H), 7.32 (d, J=8.08 Hzt 2H), 7.39 (m, 1H), 7.46 (t, 1 H)1 7.62 (d, J=8.08 Hz, 3H)1 7.69 (s. 1H), 8.41 (s, broad, 1H).

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 3112-31-0.

Researchers who often do experiments know that organic synthesis is a process of preparing more complex target molecules from simple raw materials through one or more chemical reactions. Generally, it requires fewer steps, and cheap raw materials. 146941-72-2, name is 4-Bromo-1-methyl-1H-pyrazol-3-amine, A new synthetic method of this compound is introduced below., Quality Control of 4-Bromo-1-methyl-1H-pyrazol-3-amine

A) Methyl 3-(4-bromo-1-methyl-1H-pyrazol-3-ylamino)propanoate A mixture of 4-bromo-1-methyl-1H-pyrazol-3-amine (3.50 g), methyl acrylate (8 mL), 4-(dimethylamino)pyridine (0.49 g) and DMF (3 mL) was stirred at 135C for 3 hours and 30 minutes under irradiation with microwave. Water and ethyl acetate were added to the reaction mixture to separate an organic layer. The aqueous layer was subjected to extraction with ethyl acetate. The combined extract was washed with saturated brine and dried over anhydrous sodium sulfate, and the solvent was distilled off under reduced pressure. The residue was purified by silica gel column chromatography (ethyl acetate/petroleum ether) to obtain the title compound (3.20 g). MS: [M+H]+ 261.8.

The basis of chemical reaction formula synthesis, the synthesis route is composed of some specific reactions and combined according to certain logical thinking. We look forward to the emergence of more reaction modes in the future.

Some common heterocyclic compound, 17635-45-9, name is 4-Pyrazol-1-yl-phenylamine, molecular formula is C9H9N3, 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. Quality Control of 4-Pyrazol-1-yl-phenylamine

[0183] A mixture of intermediate 33 (0.10 g, 0.28 mmol) and 4-pyrazol-l-yl-phenylamine (50 mg, 0.31 mmol) in acetic acid (3 mL) was sealed in a microwave reaction tube and irradiated with microwave at 130 ¡ãC for 15 min. After cooling to room temperature, the cap was removed and the mixture concentrated. The residue was taken up in water (20 mL) and neutralized with 10percent NaOH solution until solid precipitated. The brown solid was filtered and then purified by HPLC. The corrected fractions were combined and poured into saturated NaHCO3 solution (30 mL). The combined aqueous layers were extracted with EtOAc (2 x 30 mL) and the combined organic layers washed with brine, dried over anhydrous Na2SO4 and filtered. The filtrate was concentrated and the resulting solid dissolved in minimum amount of EtOAc and hexanes added until solid precipitated. After filtration, the title compound was obtained as a white solid (15 mg, 11percent).[0184] 1H NMR (500 MHz, DMSO-d6): delta 1.12 (s, 9H), 2.15 (s, 3H), 6.49 (t, J= 2.2 Hz, IH), 7.50-7.55 (m, 2H), 7.58 (s, IH), 7.62 (d, J= 9.1 Hz, 2H), 7.68 (d, J= 1.3 Hz, IH), 7.77 (d, J= 9.1 Hz, 2H), 7.96 (s, IH), 8.11 (s, IH), 8.13-8.16 (m, IH), 8.33 (d, J= 2.5 Hz, IH), 8.64 (s, IH), 9.17 (s, IH). MS (ES+): m/z 478 (M+H)+.

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route 17635-45-9, its application will become more common.

Researchers who often do experiments know that organic synthesis is a process of preparing more complex target molecules from simple raw materials through one or more chemical reactions. Generally, it requires fewer steps, and cheap raw materials. 121507-34-4, name is 5-Isopropoxy-1H-pyrazol-3-amine, A new synthetic method of this compound is introduced below., Application In Synthesis of 5-Isopropoxy-1H-pyrazol-3-amine

5-bromo-N’-(5-isopropoxy-1H-pyrazol-3-yl)-N-[(3-methylisoxazol-5-yl)methyl]pyrimidine-2,4-diamine (also known as 5-bromo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N’-(5-propan-2-yloxy-1H-pyrazol-3-yl)pyrimidine-2,4-diamine), used as starting material, was prepared as follows: a) To a solution of 5-isopropoxy-1H-pyrazol-3-amine (2.0 g, 14.2 mmol) in dry tetrahydrofuran (60 ml) under a nitrogen atmosphere was added triethylamine and the mixture cooled to 0 C. A solution of 5-bromo-2,4-dichloropyrimidine (3.23 g, 14.2 mmol) in dry tetrahydrofuran (30 ml) was added dropwise and the mixture was allowed to stir at room temperature for 18 hours. The mixture was evaporated and the residue crystallised with ethyl acetate. The mixture was filtered and the residue triturated thoroughly with water. The resultant solid was filtered and then left to dry overnight to give 5-bromo-2-chloro-N-(5-isopropoxy-1H-pyrazol-3-yl)pyrimidin-4-amine (1.645 g, 35% yield). MS: m/z 332 (MH+).

The basis of chemical reaction formula synthesis, the synthesis route is composed of some specific reactions and combined according to certain logical thinking. We look forward to the emergence of more reaction modes in the future.

Application of 1126-00-7, 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. 1126-00-7, name is 1-Phenylpyrazole, This compound has unique chemical properties. The synthetic route is as follows.

Example A: 1-Phenylpyrazole-5-carbaldehyd; Experimental procedure:; Under N2-atmosphere a solution of n-butyllithium in heptane (2.61 M, 5.3 mL, 13.9 mmol) is slowly added to a cooled (- 78 C) solution of 1-phenyl-1H-pyrazole (2.0 g, 13.9 mmol) in abs. THF (60 mL). The reaction mixture was stirred for 2 h at -78 C. Subsequently a Solution of abs. DMF (1.1 mL, 13.9 mmol) in abs. THF (8 mL) is slowly added at -78 C. This mixture was stirred for 1 h at -78 C, before it was slowly heated to room temperature and was stirred for a further 18 h. Then it was hydrolysed with water (10 mL) and subsequently extracted three times with CH2Cl2. The organic phases were dried (Na2SO4), filtered and the solvent was removed under vacuum. The crude product (2.48 g) was purified using flash-chromatography (?= 6 cm, h = 12 cm, n-hexane:ethylacetate = 8:2, 30 mL, Rf = 0.24). Yellow Oil, that crystalized in the cold to a yellow solid, melting point: 31 C, Yield: 2.15 g (90%) C10H8N2O (172.2) MS (EI): m/z (rel.Int) = 172 [M+, 100], 144 [M – CO, 69]. IR (neat): nu (cm-1) = 3063 (C-H aromat.), 2923 (C-H aliphat.), 2854 (C-H), 1683 (C=O), 1596, 1517, 1499 (C=C), 763, 694 (C-H). 1H-NMR (CDCl3): delta (ppm) = 7.11 (d, J = 2.1 Hz, 1H, Pyrazole-4-CH), 7.46 – 7.56 (m, 5H, Phenyl-CH), 7.76 (d, J = 2.0 Hz, 1H, Pyrazole-3-CH), 9.88 (s, 1 H, CHO). 13C-NMR (CDCl3): delta (ppm) = 112.5 (1 C, Pyrazole-4-CH), 125.8 (2 C, Phenyl-CH, ortho), 129.4 (1 C, Phenyl-CH, para), 129.6 (2 C, Phenyl-CH, meta), 139.0 (1 C, Phenyl-C, quartaer), 140.3 (1 C, Pyrazole-5-C), 140.7 (1 C, Pyrazole-3-CH), 180.2 (1 C, CHO).

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

Reference of 133261-11-7,Some common heterocyclic compound, 133261-11-7, name is Ethyl 3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylate, molecular formula is C10H14N2O2, 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.

Ethyl 3-cyclopropyl-4-iodo-1-methyl-1H-pyrazole-5-carboxylate A solution of 500 mg (2.57 mmol) of ethyl-3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylate (prepared from ethyl-3-cyclopropyl-1H-pyrazole-5-carboxylate in accordance with Bioorg. Med. Chem. Lett. 1996, 6, 1819-1824) in 5 ml of acetonitrile is admixed with 706 mg (1.28 mmol) of ammonium cerium(IV) nitrate and 392 mg (1.53 mmol) of iodine and heated under reflux for three hours and afterstirred overnight at room temperature. The reaction mixture is diluted with water and ethyl acetate, and the organic phase is washed with saturated sodium thiosulphate solution, dried over sodium sulphate, filtered and concentrated by evaporation in vacuo. Chromatographic purification gives 506 mg of ethyl-3-cyclopropyl-4-iodo-1-methyl-1H-pyrazole-5-carboxylate (66%). 1H-NMR (400 MHz, d6-DMSO): delta=4.34 (m, 2H), 3.98 (s, 3H), 1.82 (m, 1H), 1.36 (m, 3H), 0.89 (m, 2H), 0.75 (m, 2H) ppm. HPLC-MS: log P=3.56; mass (m/z)=321 [M+H]+.

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route Ethyl 3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylate, its application will become more common.

Researchers who often do experiments know that organic synthesis is a process of preparing more complex target molecules from simple raw materials through one or more chemical reactions. Generally, it requires fewer steps, and cheap raw materials. 118430-73-2, name is 3-(tert-Butyl)-1-methyl-1H-pyrazol-5-amine, A new synthetic method of this compound is introduced below., Recommanded Product: 3-(tert-Butyl)-1-methyl-1H-pyrazol-5-amine

A solution of 5-tert-butyl-2-methyl-2H-pyrazol-3-ylamine (0.5 g, 3.26 mmol) in EtOAc (10 mL) was treated with aqueous NaOH (1M, 5.87 mmol), followed by 2,2,2-trichloroethyl chloroformate (0.54 mL, 3.92 mmol) and the reaction mixture was stirred at RT for 1 h. The mixture was partitioned between EtOAc (10 mL) and water (2 x 10 mL). The organic layer was dried (MgSO4), filtered and concentrated in vacuo. The residue was purified by FCC, using 0-100% EtOAc in cyclohexane to afford the title compound as a pale orange gum (0.915 g, 86%). LCMS (Method 3): Rt 3.88 min, m/z 328/330 [MH ].

The basis of chemical reaction formula synthesis, the synthesis route is composed of some specific reactions and combined according to certain logical thinking. We look forward to the emergence of more reaction modes in the future.

In the chemical reaction process, reaction time, type of solvent, can easily affect the result of the reaction, thereby determining the yield and properties of the reaction product. An updated downstream synthesis route of 151049-87-5 as follows. SDS of cas: 151049-87-5

Dissolve YC042 (100mg, 0.4mmol) and 1-methyl-3-bromo-1H-pyrazole (129mg, 0.8mmol) in DME, add 1.6mL of 2M sodium carbonate aqueous solution, evacuate and introduce nitrogen, and add catalyst Pd (dppf) 2Cl2-CH2Cl2 (16mg). After vacuuming again, nitrogen was passed through, refluxed at 95 C overnight, diluted with water, extracted with ethyl acetate, and the organic phase was dried over anhydrous sodium sulfate. YC043 (24 mg).

According to the analysis of related databases, 151049-87-5, the application of this compound in the production field has become more and more popular.

Application of 16617-46-2, A common heterocyclic compound, 16617-46-2, name is 3-Amino-1H-pyrazole-4-carbonitrile, molecular formula is C4H4N4, 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.

To a solution of 5-amino-lH-pyrazole-4-carbonitrile (500 mg, 4.63 mmol) in n- BuOH (1 mL) was added ethyl 3-(l -methyl- lH-indazol-5-yl)-3-oxopropanoate (1.7 g, 6.90 mmol), p-TsOH (40 mg, 0.23 mmol) with stirring for 1 h at 130¡ãC. The product was collected by filtration and washed with methanol (3 x 5 ml) to afford 5- (l-methyl-lH-indazol-5-yl)-7-oxo-4H,7H-pyrazolo[l,5-a]pyrimidine-3-carbonitrile as a light yellow solid (1 g, 74percent). LCMS (ES, m/z): [M+H]+ 291.0; *H NMR (300 MHz, DMSO) delta 8.40 (s, 1H), 8.25 (s, 1H), 8.20 (s, 1H), 8.01 (d, / = 9.00 Hz, 1H), 7.76 (d, / = 9.00 Hz, 1H), 6.28 (s, 1H), 4.12 (s, 3H)

The basis of chemical reaction formula synthesis, the synthesis route is composed of some specific reactions and combined according to certain logical thinking. We look forward to the emergence of more reaction modes in the future.