Category: 31108-57-3

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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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.

Application of 31108-57-3,Some common heterocyclic compound, 31108-57-3, name is 1H-Pyrazole-4-carbonitrile, molecular formula is C4H3N3, 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 II-C7 (245 mg, 0.6 mmol) and lH-pyrazole-4-carbonitrile (53.6 mg, 0.6 mmol) in acetone (5 mL) was added K2C03 (158 mg, 1.12 mmol). The reaction mixture was stirred at 20 C for 16 hrs. The reaction mixture was extracted with EtOAc (3 x 30 mL). The combined organic layer was washed with saturated brine (30 mL), dried over Na2S04, filtered and concentrated to give the product. The product was purified by flash column (0-30% of EtOAc in PE) to give II-C8 (39.5 mg, 16%) as a solid. (2671) 1H NMR (400 MHz, CDCl3) dH 7.85 (s, 1H), 7.81 (s, 1H), 4.95 (dd, J= 18.0, 44.8 Hz, 2H), 2.58 (t, J= 8.4 Hz, 1H), 2.25-2.15 (m, 1H), 2.08-1.99 (m, 1H), 1.82-1.60 (m, 9H), 1.45-1.15 (m, 13H), 1.05-0.79 (m, 7H), 0.66 (s, 3H); ELSD purity, 99%; MS ESI calcd. for (2672) C27H4ON302 [M+H]+ 438, found 438.

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