Author: Jessica.F

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. 6393-40-4, name is 4-Amino-3-nitrobenzonitrile, A new synthetic method of this compound is introduced below., Safety of 4-Amino-3-nitrobenzonitrile

General procedure: 2-Nitroaniline derivative (1 mmol) was added to a mixture of indium powder (574 mg, 5.0 mmol for 2-nitroaniline, 918 mg 8.0 mmol for 1,2-dinitroarene), and acetic acid (0.572 mL, 10 mmol) in ethyl acetate (2 mL), followed by the addition of trimethyl orthoester (2.0 mmol) in ethyl acetate (3 mL for 2-nitroaniline; 8 mL for 1,2-dinitroarene). The reaction mixture was stirred at reflux under a nitrogen atmosphere. After the reaction was completed, the reaction mixture was diluted with ethyl acetate (30 mL), filtered through Celite, poured into 10% NaHCO3 (30 mL), and then extracted with ethyl acetate (30 mL×3). The combined organic extracts were dried over MgSO4, filtered, and concentrated. The residue was eluted with ethyl acetate/hexane (v/v=10/90) for 2-phenylbenzimidazole derivatives or methanol/dichloromethane (v/v=1/99) for 2-methylbenzimidazole derivatives through a silica gel column to give the corresponding benzimidazoles. The structures of the benzimidazoles were characterized by 1H NMR, 13C NMR, FTIR, and GC-MS, and were mostly known compounds. HRMS data were reported in addition for unknown compounds.

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.

Adding a certain compound to certain chemical reactions, such as: 1835-49-0, name is Tetrafluoroterephthalonitrile, 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 1835-49-0, SDS of cas: 1835-49-0

Reaction was conducted in the same manner as in Example 4 except that no zeolite was used. The results were that the hydrogenolysis reaction was completed in 3 hours and the hydrogen absorption was 42%. The analysis gave a conversion of 50. 4% and a reaction yield of 20. 7% (product: 2,3, 5,6-tetrafluorobenzonitrile).

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, Tetrafluoroterephthalonitrile, other downstream synthetic routes, hurry up and to see.

Reference of 194853-86-6,Some common heterocyclic compound, 194853-86-6, name is 4-Fluoro-2-(trifluoromethyl)benzonitrile, molecular formula is C8H3F4N, 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.7V-[4-cyano-3-(trifluoromethyl)phenyl]-D-valineA mixture of 4-fluoro-2-(trifluoromethyl)benzonitrile (reagent A) (500 mg, 2.64 mmol, 1 eq), D- valine (reagent B) (341 mg, 2.91 mmol, 1.1 eq), and K2CO3 (547 mg, 3.96 mmol, 1.5 eq) in DMF (6 mL) was sealed in a 10-20 mL microwave process vial and heated in a microwave reactor for 20 min at 100 0C. The reaction mixture was partitioned between ethyl acetate and water and acidified to pH 3 with IN HCl. The layers were separated, and the organic layer was washed with saturated aqueous sodium carbonate (2-50 mL portions) and dried over sodium sulfate. The residue was purified by ISCO silica gel chromatography (1Og silica cartridge, 100% CH2Cl2 grading to 10% CH3OH/CH2C12 over 10 min followed by 10% CH2Cl2 for 10 min) to provide the title compound (320 mg, 42%) as a pale yellow oil. 1H NMR (400 MHz, CD3OD) delta 7.63 (d, IH, J = 8.8 Hz), 7.13 (d, IH, J= 2.0 Hz), 6.88 (dd, IH, J = 8.4, 2.0 Hz), 3.91 (d, IH, 7= 6.4 Hz), 2.24 (m, IH), 1.09 (t, 6H, J = 6.8 Hz); LC/MS 287.2 (MH)+.

The synthetic route of 194853-86-6 has been constantly updated, and we look forward to future research findings.

Some common heterocyclic compound, 31643-49-9, name is 4-Nitrophthalonitrile, molecular formula is C8H3N3O2, 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. Product Details of 31643-49-9

A mixture of 4-nitro-phthalonitrile (3.46 g, 20 mmol), pyridin-3-ol (1.90 g, 20 mmol), K2CO3 (8.29 g, 60 mmol), and DMF (50 ml) was stirred at ambient temperature overnight. The reaction mixture was then combined with another batch of the same reaction performed on the same scale. Subsequently, the solid components were removed by filtration and the filtrate was concentrated in vacuo. To the residue was added water and the mixture was extracted with EtOAc. The organic phase was then washed with brine, dried, and evaporated in vacuo. The residue was recrystallized from EtOAc/MeOH to give 8.3 g of the title compound; 1H NMR (CDCl3): delta=8.56 to 8.59 (m, 1 H), 8.45 to 8.47 (m, 1 H), 7.76 (d, 1 H), 7.42 to 7.44 (m, 2 H), 7.22 to 7.32 (m, 2 H).

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route 31643-49-9, its application will become more common.

Related Products of 6621-59-6, A common heterocyclic compound, 6621-59-6, name is 6-Bromohexanenitrile, molecular formula is C6H10BrN, 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.

Preparation of 2-(5-Cyanopentyl)malonic Acid Di-tert-butyl Ester (2021050) Potassium tert-butoxide (13.5 g, 0.12 mol) followed by di-tent-butyl malonate (21.6 g, 0.10 mol) was added portionwise to stirred tetrahydrofuran (200 mL) then 6-bromohexanenitrile (18.0 g, 0.10 mol) was added to the resultant yellow slurry. The mixture was subsequently stirred at room temperature for 48 h before being quenched with citric acid (30 g) in water (150 mL) and extracted with dichloromethane (3*200 mL). The combined organic fractions were dried (MgSO4) and the solvent was removed under reduced pressure to afford 2-(5-cyanopentyl)malonic acid di-tert-butyl ester (2021050) (32.3 g, 100%) as a clear oil.

The synthetic route of 6621-59-6 has been constantly updated, and we look forward to future research findings.

Related Products of 40497-11-8,Some common heterocyclic compound, 40497-11-8, name is Ethyl 2,3-dicyanopropanoate, molecular formula is C7H8N2O2, 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.

Preparation 104; 5-amino-1-[2, 6-dichloro-4-(trifluoromethoxy) phenyl]-1 H-pyrazole-3-carbonitrile To sulphuric acid (18M, 54 mi) was added sodium nitrite (13.9 g, 201.2 mmol) and the solution was stirred at 15C for 1 h. To the solution was added acetic acid (200 ml), followed by 2, 6-dichloro-4- (trifluoromethoxy) aniline (45.0 g, 182.9 mmol) in acetic acid (90 ml), ensuring the temperature of the solution did not rise above 20C. After addition was complete, the mixture was heated at 50C for 1 h, cooled to room temperature and added dropwise to a solution of ethyl 2,3-dicyanopropanoate (Hainzl, D.; Cole, L. M. ; Casida, J. E. Chemical Research in Toxicology (1998), 11 (12), 1529-1535,27. 8 g, 182.9 mmol) in acetic acid (115 ml) and ice cold water (145 ml). The reaction mixture was then stirred overnight at room temperature. To the reaction mixture was added dichloromethane (500 mi) and the mixture was stirred for 10 min. The two phases were separated and the organic phase was washed with water (200 mi) and ammonia (0.88, 400 ml) was added dropwise, maintaining the temperature of the mixture below 10C. This mixture was stirred overnight at room temperature and the organic phase was separated and concentrated in vacuo. The residue was re-crystallised from toluene/pentane [2: 1] to give the titled compound (22.4 g). Experimental MH+ 337.0 ; expected 337.0

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route Ethyl 2,3-dicyanopropanoate, its application will become more common.

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. 16588-02-6, name is 2-Chloro-5-nitrobenzonitrile belongs to nitriles-buliding-blocks compound, it is a common compound, a new synthetic route is introduced below. Application In Synthesis of 2-Chloro-5-nitrobenzonitrile

2-Chloro-5-nitrobenzonitrile (0.91 g, 5.0 mmol) was added to the reaction flask.Ethyl piperazine-1-carboxylate (0.84 g, 5.3 mmol),Triethylamine (1.1 g, 10.9 mmol) and acetonitrile 20 mL were refluxed for 4.5 h.After the reaction, the reaction solution was cooled to room temperature, diluted with water and extracted with ethyl acetate.The organic layer was dried over anhydrous sodium sulfate, filtered and evaporated.The residue was recrystallized from ethyl acetate to give 1a, yield 71.7%

The synthetic route of 16588-02-6 has been constantly updated, and we look forward to future research findings.

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. 796600-15-2, name is 2-Chloro-4-fluoro-3-methylbenzonitrile, A new synthetic method of this compound is introduced below., Recommanded Product: 2-Chloro-4-fluoro-3-methylbenzonitrile

Example 22-Chloro-4-[[(lS,2R)-2-hydroxy-2-methyl-cyclopentyl]amino]-3-methyl-benzonitrilebsoluteIn a sealed pressure vessel, a mixture of 2-chloro-4-fluoro-3-methyl-benzonitrile (1.2 g, 7.08 mmol), (lR,2S)-2-amino-l-methyl-cyclopentanol (1.63 g, 14.2 mmol) and lithium carbonate (1.10 g, 14.9 mmol) in DMSO (14.4 mL) and water (1.4 mL) is heated at 130 C overnight. After allowing the reaction to cool to room temperature, the mixture is diluted with EtOAc and washed twice with 1 N hydrochloric acid. The organic phase isconcentrated under reduced pressure and purified using radial chromatography eluting with EtOAc/hexanes (20 to 50% EtOAc/hexanes gradient). The resulting residue is repurified using radial chromatography with 1% methanol/dichloromethane. The isolated product is recrystallized with ether/hexanes, collected by filtration, and dried under reduced pressure to yield the title compound as a white solid (450 mg, 24%). A second crop (84 mg) is also isolated. LC-ES/MS m/z (35C1/37C1) 265/267 (M+l). 1H NMR (400 MHz, DMSO-d6) delta 1.16 (s, 3H), 1.71-1.73 (m, 5H), 2.12-2.13 (m, 1H), 2.14 (s, 3H), 3.46-3.50 (m, 1H), 4.93 (s, 1H), 5.26-5.30 (m, 1H), 6.63 (d, J= 8.8 Hz, 1H), 7.47 (d, J= 8.6 Hz, 1H). Chiral HPLC showed the material had an enantiomeric excess of 67%. The enantiomeric excess is determined by SFC on a CHIRALPAK AS-H (4.6 x 150 mm, 5 mupiiota) column using 20% ethanol/carbon dioxide. Flow rate: 5 mL/min. Detection: 225 nm. Isomer 1 (title compound):TR = 1.39 min; Isomer 2: TR = 1.99 min. The absolute stereochemistry of Isomer 1 (1S,2R) is known by correlation of retentions times with Isomer 1 and Isomer 2 as described inExample 3.The enantioenriched material (534 mg) is dissolved in methanol (5.5 mL) and purified in 500 mu?. injections by SFC on a CHIRALPAK AS-H (2.1 x 25 cm, 5 muiotaeta) column using 20% ethanol/carbon dioxide. Flow rate: 70 mL/min. Detection: 225 nm. The title compound is isolated as the first eluting peak, Isomer 1 (326 mg) in 99% enantiomeric excess. The enantiomeric excess is determined by SFC as described above.

The synthetic route of 796600-15-2 has been constantly updated, and we look forward to future research findings.

Related Products of 127510-96-7,Some common heterocyclic compound, 127510-96-7, name is Methyl 2-cyano-4-fluorobenzoate, molecular formula is C9H6FNO2, 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.

Example 9a) 2-Cyano-4-dimethylamino-benzoic acid methyl ester (9a)To a stirred solution of 4,03 g (22.5 mmol) 2-Cyano-4-fluoro-benzoic acid methyl ester (J. Med. Chem., 35; 24; (1992); 4613-4627) and 60.0 ml dimethylsulphoxid were added 2.23 g (27.0 mmol) dimethylamine hydrochloride and 6.54 g (47.3 mmol) potassium carbonate. The reaction mixture was stirred for 9h at 600C in an autoclave and was concentrated with high vacuum rotation evaporator at 65C. The residue was diluted with dichloromethane, washed twice with water. The combined water phases were extracted with dichloromethane. The combined dichloromethane phases were washed with diluted sodium hydrogen carbonate solution, dried with sodium sulphate and concentrated. The oily crude was purified by column chromatography and the desired product 9a was obtained in 85% yield (3,90 g, 19.1 mmol). MS-ESI: 205 (M+ +1 , 81).Elementary analysis: C 64.69% H 5.92% N 13.72%Determined: C 64.72% H 5.95% N 13,70%

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route Methyl 2-cyano-4-fluorobenzoate, its application will become more common.

Application of 40497-11-8,Some common heterocyclic compound, 40497-11-8, name is Ethyl 2,3-dicyanopropanoate, molecular formula is C7H8N2O2, 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 solution of ethyl 2,3-dicyanopropanoate (1.58 g, 10.38 mmol) in methanol (52 mL) and pyridine (2.52 mL, 31.14 mmol) was cooled to 10C with an ice bath. Benzenediazonium tetrafluoroborate was added in portions over 20 minutes at 10C and the reaction stirred at room temperature for 18 hours. The reaction was concentrated in vacuo and partitioned between DCM and water. The organic layer was dried over magnesium sulphate and concentrated in vacuo to afford the title compound (2.8 g, 28%). 1 H NMR (400MHz, CDCI3): delta ppm 3.62 (s, 2H), 7.05-7.25 (m, 3H), 7.36 (m, 2H).

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route Ethyl 2,3-dicyanopropanoate, its application will become more common.