Month: April 2021

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 3939-09-1 as follows. Formula: C7H3F2N

To a solution of 2,4-difluorobenzonitrile (10 g, 72 mmol) dissolved in tetrahydrofuran (20 mL), and dimethylformamide (40 mL) was added 1,2,4-triazole sodium salt (6.3 g, 70 mmol) and the mixture stirred at 90 0C for 3 h after which the mixture was filtered and the solvent removed. The resulting residue was adsorbed onto silica gel and intermediates 67 and 68 separated by flash chromatography, eluting with 0% to 30% ethyl acetate/hexanes.Intermediate 674-Fluoro-2-(lH-l,2,4-triazol-l-yl)benzonitrile. Colorless needles (2.46 g,18% yield) 1H NMR (500 MHz, CDCl3) delta: 8.89 (IH, s), 8.19 (IH, s), 7.85 (IH, dd, J = 8.7, 5.6 Hz), 7.60 (IH, dd, J= 8.8, 2.4 Hz), 7.28-7.24 (IH, m). LCMS (M+H) calcd for C9H6N4F: 189.05; found: 189.13. Intermediate e 684-(lH-l,2,4-Triazol-l-yl)-2-fluorobenzonitrile. White solid (0.746 g, 6% yield) 1H NMR (500 MHz, CDCl3) delta: 8.66 (IH, s), 8.15 (IH, s), 7.79 (IH, dd, J= 8.5, 6.7 Hz), 7.69 (IH, dd, J= 9.5, 1.8 Hz), 7.65-7.63 (IH, m). LCMS (M+H) calcd for C9H6N4F: 189.05; found: 189.13.

According to the analysis of related databases, 3939-09-1, the application of this compound in the production field has become more and more popular.

Related Products of 13338-63-1,Some common heterocyclic compound, 13338-63-1, name is 3,4,5-Trimethoxyphenylacetonitrile, molecular formula is C11H13NO3, 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.

General procedure: The solution of NaOH (2.71g, 67.93mmol) in water (20mL) was added at room temperature to the solution of polymethoxyphenylacetonitrile [40] (5.0g, 33.96mmol) and hydroxylamine hydrochloride (4.72g, 67.93mmol) in EtOH (100mL). The reaction mixture was refluxed for 5h, the solvent was evaporated in vacuo, and the residue was washed by water (3×30mL) and dried. Yield 75-80%.

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route 3,4,5-Trimethoxyphenylacetonitrile, its application will become more common.

Some common heterocyclic compound, 50397-74-5, name is 4-Amino-3-bromobenzonitrile, molecular formula is C7H5BrN2, 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. Formula: C7H5BrN2

General procedure: A mixture of benzyl 1-oxa-6-azaspiro[2.5]octane-6-carboxylate (247 mg, 1.0 mmol), 2-bromo-4-methoxyaniline (303 mg, 1.5 mmol) and lithium perchlorate (190 mg, 1.7 mmol) were taken in acetonitrile (3.0 mL). The reaction mixture was heated to 90 C for 18 h. The reaction mixture was diluted with ethyl acetate (20 mL) and washed with water. The organic layer was dried over sodium sulfate and concentrated under reduced pressure, and the product was purified by column chromatography (silica gel, 50% EtOAc/hexanes) to provide benzyl 4-(((2-bromo-4-methoxyphenyl)amino)methyl)-4-hydroxypiperidine-1-carboxylate, 5c (358 mg, 80%) as a colourless syrup.

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route 50397-74-5, its application will become more common.

Synthetic Route of 50594-78-0, 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. 50594-78-0, name is 5-Fluoro-2-nitrobenzonitrile, This compound has unique chemical properties. The synthetic route is as follows.

Step 1 : 6-(N-(3-cyano-4-nitrophenyl)methylsulfonamido)-5-cyclopropyl-2-(4-fluorophenyl)-N- methylbenzofuran-3-carboxamide A mixture of 5-fluoro-2-nitrobenzonitrile (1 .280 mL, 1 1 .18 mmol), 5-cyclopropyl-2-(4- fluorophenyl)-N-methyl-6-(methylsulfonamido)benzofuran-3-carboxamide (3.0 g, 7.45 mmol) and K2CO3 (3.09 g, 22.36 mmol) in 1 ,2-dimethoxyethane (30 mL) and water (7.5 mL) in a seal tube was heated to 80 0 C overnight. It was cooled down to room temperature, diluted with EtOAc, filtered and the off-white solid was washed with water and then dried in vacuo to give crude desired product as a yellow solid (80 % purity, 3.9 g, 76 %). LCMS {m/z, ES+) = 549 (M+H+)

The chemical industry reduces the impact on the environment during synthesis 5-Fluoro-2-nitrobenzonitrile. 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: 330793-38-9, name is 4-Bromo-2-methoxybenzonitrile, belongs to nitriles-buliding-blocks 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 330793-38-9, Application In Synthesis of 4-Bromo-2-methoxybenzonitrile

2-(6-(5,6,7,8-Tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino)pyridin-3-yl)propan-2-ol (20 mg) obtained in ReferenceExample 4, 4-bromo-2-methoxybenzonitrile (22 mg), tris(dibenzylideneacetone)dipalladium (6.4 mg), Xantphos(8.1 mg), and sodium tert-butoxide (10 mg) were suspended in dioxane (0.4 mL), followed by stirring under microwaveirradiation at 130°C for 40 minutes. Insolubles were removed from the reaction mixture by filtration, and the resultingsolution was purified by reversed-phase preparative HPLC column chromatography. The resulting fraction was concentratedunder reduced pressure to obtain the target compound.

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-2-methoxybenzonitrile, 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. 57381-51-8, name is 4-Chloro-2-fluorobenzonitrile, This compound has unique chemical properties. The synthetic route is as follows., SDS of cas: 57381-51-8

General procedure: Into an oven-dried flask equipped with a magnetic stir bar was added aryl fluoride (1.00 g, 1.0 eq.), Na2S (1.1 eq.) and DMF (5 mL) under argon. The reaction mixture was stirred at room temperature for 1 h. Then 1 M NaOH (50 mL) was added and was washed with CH2Cl2 (2 x 25 mL). The aqueous layer was acidified to pH ~ 1-2 with 6 N HCl and extracted with CH2Cl2 (2 x 50 mL). The combined organic layer was washed with brine (50 mL), dried over MgSO4, filtered and concentrated under reduced pressure to provide a crude residue. To the residue was added 10% HCl (40 mL) and cooled with an ice-water bath. Then zinc dust (4 g) was added and the mixture was stirred for 1 h. Then EtOAc (100 mL) was added and the mixture was stirred for an additional 30 minutes. The organic layer was separated and washed with water (40 mL) and brine (40 mL), dried over MgSO4, filtered and concentrated to provide the desired product with satisfactory purity.

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 57381-51-8.

Adding a certain compound to certain chemical reactions, such as: 330793-38-9, name is 4-Bromo-2-methoxybenzonitrile, belongs to nitriles-buliding-blocks 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 330793-38-9, SDS of cas: 330793-38-9

Step 2: Preparation of the intermediate: 4-bromo-2-hydroxy-benzonitrile; To a stirred solution of 4-bromo-2-methoxy-benzonitrile (4. 60 g, 21.7 mmol) in methylene chloride (20 mL) was added aluminum chloride (14.5 g, 108 mmol). After stirring under an argon atmosphere for 10 min, more methylene chloride (30 mL) was added, and the mixture left to reflux under argon overnight. The reaction was then diluted with ethyl acetate, washed with water, brine, and dried over magnesium sulfate. The solvent was removed at reduced pressure, providing (4.09g, 95.2percent) of 4-bromo-2- hydroxy-benzonitrile as a slightly gray-colored product. 1H-NMR (CDCI3) 6 7.35 (d, J = 8.4 Hz, 1H), 7.19 (d, J = 1.4 Hz, 1H), 7.14 (dd, J = 8. 4,1, 4 Hz, 1H), 6.15 (s, 1H) ; TLC Rf = 0.78 (50percent ethyl acetate-hexane).

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-2-methoxybenzonitrile, other downstream synthetic routes, hurry up and to see.

Synthetic Route of 3544-25-0, A common heterocyclic compound, 3544-25-0, name is 2-(4-Aminophenyl)acetonitrile, molecular formula is C8H8N2, 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.

Stage 10.2 2,3-Dichloro-N-(4-cyanomethyl-phenyl)-benzenesulfonamide To the solution of 4-aminobenzylcyanide (12 g, 90.8 mmol) in pyridine (11 mL) at RT, a solution of 2,3-dichlorobenzene-sulphonylchloride (22.29 g, 90.8 mmol) in THF (80 mL) is added within 20 minutes. The reaction is stirred at reflux for 2 hours. After cooling, the solvent is removed under reduced pressure and the remaining solid suspended in 10% HCl (200 mL). The crude crystalline product is filtered-off, washed with H2O and dried at 60 C. Final purification is done by suspending the crude compound in MeOH (250 mL), heating to reflux, filtration and drying. 2,3-Dichloro-N-(4-cyanomethyl-phenyl)-benzenesulfonamide (26.54 g, 86%) is obtained as orange crystals: m.p: 202-206 C.; (CH2Cl2/MeOH 98:2): 0.54; ES-MS [M-1]-=338.8; HPLC BtRet=5.85 minutes.

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, 796600-15-2, name is 2-Chloro-4-fluoro-3-methylbenzonitrile, molecular formula is C8H5ClFN, 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. SDS of cas: 796600-15-2

Heat a mixture of 2,4-dihydroxy-4-phenyl-l -butylamine (1.8 g, 10 mmol) and 2-chloro-4- fluoro-3-methyl-benzonitrile (1.0 g 6 mmol), cesium carbonate (4.Og, 12 mmol) and anhydrous dimethyl sulphoxide (10 ml) at 100 0C for 5 h. Allow the reaction cool and partition between ethyl acetate (100 ml) and water (3 x 50 ml). Wash the organic layer with 1.0M hydrochloric acid, dry over magnesium sulphate and concentrate to give a yellow oil (1.0 g). Dissolve this material in dichloromethane (20 ml) and treat with trifluoroacetic acid (5 ml). Allow the reaction mixture to stand at room temperature overnight and then wash with water (20 ml) and 2.0M sodium hydroxide (20 ml). Dry the organic layer over EPO magnesium sulphate and concentrate to dryness. Purify the residue by silica gel chromatography (eluting with 5 to 10% methanol / dichloromethane) to give 50 mg (1.6% yield as a single diastereoisomer) of the title compound as a white solid. MS: 313 [M C135+H]+ and 335 [M Cl35+Na]+; 1H NMR (300 MHz, CDCl3): delta 7.28 (m, 5H), 7.20 (d, IH), 6.72 (d, IH), 5.09 (m, IH), 4.60 (br m, IH), 4.29 (m, IH), 3.10 (m, IH), 2.44 (m, IH), 2.43 (s, 3H), 2.00 (m, IH).

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route 796600-15-2, its application will become more common.

Electric Literature of 127946-77-4, A common heterocyclic compound, 127946-77-4, name is 1-Amino-1-cyclopropanecarbonitrile hydrochloride, molecular formula is C4H7ClN2, 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 vial containing (1 R,2R,5 S)-2-(2-(tert-butyl)-5 -(4-( 1 -imino- 1-oxidothiomorpholino)phenyl)oxazol-4-yl)-5 -fluorocyclohexanecarboxylic acid (12 mg, 0.025 mmol) was added 1-aminocyclopropanecarbonitrile hydrochloride (72.5 mg, 0.6 11 mmol), DIPEA (115 uL, 0.696 mmol), and HATU (13.4 mg, 0.035 mmol). The resulting mixture was heated at 65 C for 4.5 hours. The reaction mixture was cooled to RT. The crude mixture was purified directly via reverse phase preparative HPLC (water/lO to 75% MeCN, 0.1% TFA, 15mm). Fractions with the desired product after HPLC were treated with saturated NaHCO3 and extracted with CH2C12 (3 x 10 mL), then EtOAc, washed with brine (30 mL), dried (Mg504), and evaparated under reduced pressure giving 8.2 mg (60%) of (2R,55)-2-(2-(tert-butyl)-5-(4-(1- imino- 1 -oxidothiomorpholino)phenyl)oxazol-4-yl)-N-( 1 -cyanocyclopropyl)-5 -fluorocyclohexanecarboxamide (Compound 13). ?H NMR (500 MHz, CDC13): oe 0.89-0.84 (m; 2H); 0.98-0.93 (m; 1 H); 1.33-1.28 (m; 1 H); 1.41-1.39 (m; 1 H); 1.43 (s; 9 H); 2.07-1.92 (m; 3H); 2.15 (brt; J= 16.14 Hz; 2 H); 2.99 (t; J= 11.59 Hz; 1 H); 3.17-3.13 (m; 5 H); 3.94-3.86 (m;4 H); 5.00 (d; J = 47.85 Hz; 1 H); 6.35 (s; 1 H); 6.95 (d; J = 8.51 Hz; 2 H); 7.46 (d; J = 8.47 Hz;2 H); MS (ES, m/z): 542.2 (M + 1)

The synthetic route of 127946-77-4 has been constantly updated, and we look forward to future research findings.