Author: Jessica.F

127946-77-4, name is 1-Amino-1-cyclopropanecarbonitrile hydrochloride, belongs to nitriles-buliding-blocks 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 C4H7ClN2

To a vial containing (lR,2R,5S)-2-(2-(ieri-butyl)-5-(4-(l-imino-l- oxidothiomorpholino)phenyl)oxazol-4-yl)-5-fluorocyclohexanecarboxylic acid (12 mg, 0.025 mmol) was added 1-aminocyclopropanecarbonitrile hydrochloride (72.5 mg, 0.61 1 mmol), DIPEA (1 15 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/10 to 75% MeCN, 0.1 % TFA, 15 min). Fractions with the desired product after HPLC were treated with saturated NaHCC>3 and extracted with CH2CI2 (3 x 10 mL), then EtOAc, washed with brine (30 mL), dried (MgS04), and evaparated under reduced pressure giving 8.2 mg (60%) of (2R,5S)-2-(2-(/er/-butyl)-5-(4-(l-imino-l – oxidothiomorpholino)phenyl)oxazol-4-yl)-N-(l -cyanocyclopropyl)-5- fiuorocyclohexanecarboxamide (Compound 13).1H NMR (500 MHz, CDCl3): delta 0.89-0.84 (m; 2 H); 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; 3 H); 2.15 (br t; J = 16.14 Hz; 2 H); 2.99 (t; J = 1 1.59 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.

Related Products of 915394-29-5,Some common heterocyclic compound, 915394-29-5, name is 2-(3-Aminophenyl)-2-methylpropanenitrile, molecular formula is C10H12N2, 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: 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) benzoic acid (8.95g, 31mmol) was stirred in a solvent of 58 dimethyl formamide (25mL).The reaction solution was added with 59 HATU (12.98g, 34.1mmol), 72 DIPEA (10.26mL, 62.0mmol) and 104 3-(trifluoromethyl)aniline (5g, 31mmol), followed by stirring for about 8h at room temperature. The reaction mixture was diluted with ethyl acetate and washed with a saturated aqueous sodium bicarbonate solution and saline. The organic layer thus obtained was dried over anhydrous sodium sulfate, filtered, and concentrated under reduced pressure. The resulting mixture was concentrated to give the crude 132 product, which was purified by silica gel column chromatography.

The synthetic route of 915394-29-5 has been constantly updated, and we look forward to future research findings.

Some common heterocyclic compound, 63069-50-1, name is 4-Amino-3-fluorobenzonitrile, molecular formula is C7H5FN2, 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: 63069-50-1

Step 8 30.8 g (0.45 mol) of sodium nitrite was added slowly to 244 cm3 of concentrated sulfuric acid while stirring. After the addition was complete, the solution was heated to a temperature of 50 C. to dissolve the crystals. The solution was added drop-wise to 406 cm3 of acetic acid while cooling on an ice water bath and stirring. 55 g (0.40 mol) of 4-amino-3-fluorobenzonitrile was added slowly to maintain the temperature below 25 C. and the mixture was stirred at 25 C. for one hour to dissolve the crystals and form the corresponding diazonium salt. While cooling with ice water and stirring, the diazonium salt was added drop-wise to a solution of 87.4 g (0.61 mol) of copper (I) bromide and 244 cm3 of hydrobromic acid (47%) and allowed to remain overnight at room temperature. The crystals deposited were filtered out, washed with water and recrystallized from hexane to yield 61.7 g (0.31 mol) of 4-bromo-3-fluorobenzonitrile.

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route 63069-50-1, 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. 35202-54-1, name is 4,5-Dimethoxy-1-cyanobenzocyclobutane, A new synthetic method of this compound is introduced below., SDS of cas: 35202-54-1

4,5-Dimethoxy-1-cyanobenzocyclobutane (10 g, 52.85 mmol)Soluble in ammonia-methanol solution (2M, 530ml), replacing nitrogen three times,Then add Raney nickel (1.0g)Replace hydrogen (45psi),The reaction was stirred at 20 °C for 12 h. TLC detection is complete, filtered through diatomaceous earth,The solvent was evaporated to give 4,5-dimethoxy-1-methylaminobenzocyclobutane (10.0 g, 98percent) as an oil.

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.

Reference of 218632-01-0,Some common heterocyclic compound, 218632-01-0, name is 3-Fluoro-4-nitrobenzonitrile, molecular formula is C7H3FN2O2, 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.

The mixture of 16.7 g (100 mmol) of 3-fluoro-4-nitrobenzonitrile and 100 mL of the solution of dimethylamine in ethanol (5 M) was refluxed overnight. The resulting dark red solution was then poured in to 100 mL of ice-water. The precipitate was collected by filtration and washed by H2O (50 mL*2) and ethanol (50 mL*2) to give 16.9 g of a organe needle crystal as the desired product. MS ESI (m/z) 192 (M+1)+.

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

Reference of 51762-67-5, The chemical industry reduces the impact on the environment during synthesis 51762-67-5, name is 3-Nitrophthalonitrile, I believe this compound will play a more active role in future production and life.

Using 3-nitrophthalonitrile (20 mmol) and sodium p-hydroxybenzenesulfonate (20-70 mmol, preferably 60 mmol) as reactants and dimethyl sulfoxide (40-200 mL, preferably 140 mL) as solvent in carbonic acid Potassium (30 to 90 mmol, preferably 80 mmol) is present and under nitrogen protection, the reaction is stirred at room temperature to 60C (preferably 60C) for 24 to 72 hours and monitored by thin layer chromatography. After the reaction was completed, the reaction solution was poured into ice chloroform to precipitate a yellow-white precipitate, which was filtered, washed with ethanol and acetone until the filtrate was colorless, and dried in vacuum at 50 C. to obtain a pale yellow product with a yield of 92%.

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

Adding a certain compound to certain chemical reactions, such as: 2032-34-0, name is 3,3-Diethoxypropanenitrile, 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 2032-34-0, Computed Properties of C7H13NO2

Charged 3,3-diethoxypropionitrile (20 ml, 19.08 g, 0.1332 mol, 2.25 eq), trifmoroacetic acid (40 ml, 59.56 g, 0.5223 mol, 8.82 eq) and water (10 ml) to the reaction flask at 25-30C under nitrogen atmosphere. Stirred for 6 h at 5-10 C under nitrogen atmosphere. Added dropwise a solution of methyl 2-amino-5-methoxy-4-(3-(4-methyl piperazin-1- yl)propoxy)benzoate in 80 ml ethylacetate within 30-45 min. Stirred the mixture for 10 min. Check the reaction by TLC. Filtered the solid and air dried to afford the title product as light yellow solid. Yield: 19.40 g

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

Reference of 3939-09-1, In the next few decades, the world population will flourish. As the population grows rapidly and people all over the world use more and more resources, all industries must consider their environmental impact. 3939-09-1, name is 2,4-Difluorobenzonitrile belongs to nitriles-buliding-blocks compound, it is a common compound, a new synthetic route is introduced below.

Benzyl alcohol (0.77 g, 7.2 mmol) was added to a stirred suspension of potassium tert-butoxide (0.97 g, 8.6 mg) in dioxane (15 ml) at room temperature. After 10 minutes of stirring at room temperature 2,4-difiuorobenzonitrile (1.00 g, 7.2 mmol) was added in one portion. After another 90 minutes water (10 ml) was added and the mixture extracted with diethyl ether (3×10 ml), the combined organic phases were dried using a phase separator and concentrated to solids. The crude material was purified by column (0491) chromatography using silicon dioxide gel, eluting with 25-50% dichloromethane in petroleum ether to afford 2-(benzyloxy)-4-fluorobenzonitrile as a white solid (1.33 g, 81%). (0492) [00317] A cold solution of borane (1.4 ml, 1 M in tetrahydrofuran) was added to 2- (benzyloxy)-4-fluorobenzonitrile (208 mg, 915 mutauetaomicron). After 15 hours of stirring at room temperature additional borane (1.4 ml, 1 M in tetrahydrofuran) was added. After another 19 hours of stirring additional borane (1.0 ml, 1 M in tetrahydrofuran) was added. After 3 hours the mixture was added to sodium hydroxide (5 ml, 1 M aqueous), extracted with ethyl acetate (3×5 ml), the combined organic phases were dried using a phase separator and concentrated afford [2-(benzyloxy)-4-fluorophenyl]methanamine as oil (260 mg, quantitative). This material was used without further purification. (0493) [00318] N-Methyl-4-piperidone (150 mg, 1.32 mmol) was added to a stirred solution of [2-(benzyloxy)-4-fluorophenyl]methanamine (204 mg, 882 mueta omicron) in ethanol (5 ml), after 5 minutes sodium triacetoxyborohydride (372 mg, 1.76 mmol) was added. After 6 hours the reaction mixture was concentrated, redissolved in dichloromethane (5 ml), washed with sodium hydroxide (5 ml, 1 M aqueous), the aqueous phase was extracted with additional dichloromethane (2×1 ml), the combined organic phases were dried using a phase separator, and concentrated to afford the desired intermediate as a yellow oil (253 mg, 87 %).

The synthetic route of 2,4-Difluorobenzonitrile has been constantly updated, and we look forward to future research findings.

Electric Literature of 6629-04-5, 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. 6629-04-5 name is N-Cyanoacetylurethane, 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.

To a solution of B (25 g, 160 mmol), propionaldehyde (9.3 g, 160 mmol) and Sg (5.1 g, 160 mmol) in DMF (30 mL) at 0C under nitrogen was added morpholine (7.9 g, 90 mmol). Reaction mixture was heated at 50C for 30 min, monitored by TLC. Solvent was removed in vacuo, and the mixture poured into ice water (50ml), extracted with EtOAc, washed with water and brine and concentrated. Crude material was purified by column chromatography (silica gel, EtOAc:PE = 1 : 1) to give 5 (6.8g, 18%) as a yellow solid.

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

Electric Literature of 120315-65-3, These common heterocyclic compound, 120315-65-3, name is 4-Bromo-3-methoxybenzonitrile, 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.

A mixture of 4-bromo-3-methoxybenzonitrile(lg, 4.72 mmol), 4,4,4′,4′,5,5,5′,5′- octamethyl-2,2′-bi(l,3,2-dioxaborolane) (1.796 g, 7.07 mmol), K3P04 (1.157 g, 11.79 mmol) and PdCl2(dppf) CH2C12 adduct (0.207 g, 0.283 mmol) in dioxane (12 mL) was degassed and then heated at 90 C for 3 h. The reaction was cooled to rt and was filtered through a pad of CELITE. The solvent was removed. Normal phase chromatography afforded X-lb as brown oil (1.7 g, 5.76 mmol, 100%). LC-MS (ESI) of the boronic acid m/z: 178.0 [M+H]+.

Statistics shows that 4-Bromo-3-methoxybenzonitrile is playing an increasingly important role. we look forward to future research findings about 120315-65-3.