Tag: M.W=100-200

Reference of 455-18-5,Some common heterocyclic compound, 455-18-5, name is 4-(Trifluoromethyl)benzonitrile, molecular formula is C8H4F3N, 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.

Step A (4-Trifluoromethylphenyl)thiocarboxamide To a stirred solution of 25.0 grams (0.146 mole) of 4-(trifluoromethyl)benzonitrile in 190 ml of pyridine was added 14.8 grams (0.146 mole) of triethylamine. During a two hour period, hydrogen sulfide gas was bubbled into the reaction mixture. The reaction mixture was stirred under a dry nitrogen atmosphere for 15 minutes and then was poured into ice-water. The aqueous mixture was extracted with three portions of diethyl ether. The organic extracts were combined and washed in succession with 10% hydrochloric acid, water, and an aqueous, saturated sodium chloride solution. The washed extract was dried over anhydrous sodium sulfate and was filtered. The filtrate was evaporated under reduced pressure to yield 28.3 grams of (4-trifluoromethylphenyl)thiocarboxamide as a solid.

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route 4-(Trifluoromethyl)benzonitrile, 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.

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.

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.

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.

Reference of 915394-29-5, 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. 915394-29-5, name is 2-(3-Aminophenyl)-2-methylpropanenitrile, This compound has unique chemical properties. The synthetic route is as follows.

FIG. 3C shows a modification of Scheme 1 (e.g., Scheme 1A), which uses a different Ring A reactant that results in the Ring A of the product being the structure of Compound 115. Accordingly, variations of Scheme 1 can be implemented to generate the other compounds that fall under Formula A and/or Formula B.Compound 115 is confirmed by the following spectral data: the yellow solid of Compound 115 (37.82 mg, 83.63 u mol, 34.89% yield, 95.630% purity) was confirmed by 1HNMR(EW13467-173-P1A), CNMR(EW13467-173-P1B), LCMS(EW13467-173-P1B) and HPLC(EW13467-173-P1B); LCMS: Retention time: 1.021 min, (M+H)=433.3, 5-95AB_R_220&254.1 cm. EW13467-173-P1B; HPLC: Retention time: 2.403 min, 10-80AB_4min.1 cm. EW13467-173-P1B; NMR: 1H NMR (400 MHz, DMSO-d6) ppm=9.79 (s, 1H), 8.75 (br d, J =4.0 Hz, 1H), 8.28 (br d, J =8.9 Hz, 2H), 8.09 (d, J =8.1 Hz,1H), 7.88 (s, 1H), 7.76-7.67 (m, 1H), 7.48-7.34 (m, 3H), 7.13 (br d, J =7.7 Hz, 1H), 2.69 (s, 3H), 1.72 (s, 6H).

The chemical industry reduces the impact on the environment during synthesis 2-(3-Aminophenyl)-2-methylpropanenitrile. I believe this compound will play a more active role in future production and life.

Application of 77326-36-4,Some common heterocyclic compound, 77326-36-4, name is 2-Amino-6-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.

Example 2;: N,N-Dimethyl-2-cyano-3-methoxyphenylsulfonamide (Compound No. 2); 2.1 : 2-Amino-6-methoxybenzonitrile; EPO A solution of 70 g (0.5 mol) of 2-amino-6-fluorobenzonitrile (prepared, e.g. according to US 4,504,660) in 250 ml of N,N-dimethylformamide was prepared, and a solution of 30.6 g (0.55 mol) of sodium methoxide in 70 ml of methanol was added dropwise at room temperature while stirring. The mixture was then refluxed for 5 hours with stirring. The completion of the reaction was monitored by TLC. An additional 25 g of sodium methoxide in 35 ml methanol were added and the reaction mixture was refluxed for an additional 4 hours while stirring. The reaction mixture was concentrated under reduced pressure. The resulting residue was triturated with water, filtered off with suction and the solids obtained were dissolved in ethyl acetate. The resulting solution was concen- trated in vacuo. The obtained residue was triturated with petroleum ether and filtered off with suction. Yield: 48 g (63% of theory) of a brownish solid having a melting point of 143-146C.

The synthetic route of 77326-36-4 has been constantly updated, and we look forward to future research findings.

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 6575-13-9 as follows. SDS of cas: 6575-13-9

2,6-Dimethylbenzonitrile (10 g, 76.2 mmol),N-Bromosuccinimide (12.074 g, 68.6 mmol) and azobisisobutyronitrile (0.563 g, 3 mmol) were dissolved in anhydrous chloroform (241.42 mL), reacted at 65 C for 4 hours and extracted with dichloromethane After drying with anhydrous magnesium sulfate, purification was carried out by chromatography on silica gel (SiO2, n-Hexane: THF = 9: 1) to remove the side products to obtain a product.

According to the analysis of related databases, 6575-13-9, the application of this compound in the production field has become more and more popular.

Application of 16532-79-9, These common heterocyclic compound, 16532-79-9, name is 4-Bromophenylacetonitrile, 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.

General procedure: Toa solution of 2-bromobenzyl cyanide (20.0 g, 0.1 mol) in THF (100 mL) was added1M BH3·THF (200 mL, 0.2 mol) dropwise at 0 oCover 30 min and then heated to reflux for 24 h. After quenchedwith MeOH (50 mL) and 6M HCl (50 mL) at 0 oC, the reaction mixturewas heated to reflux for another 4 h and concentrated under reduced pressure.The residue was diluted with H2O (300 mL) and washed with EA (75 mL×2). The aqueous layer was then neutralized by 15% NaOH, extracted with EA (75mL ×2). The combined organic layer was dried over Na2SO4and concentrated under reduced pressure to afford compound 2a as yellow oil (17.4 g, 85.2%).

The synthetic route of 16532-79-9 has been constantly updated, and we look forward to future research findings.

Some common heterocyclic compound, 144797-57-9, name is 4-Chloro-3,5-difluorobenzonitrile, molecular formula is C7H2ClF2N, 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. Recommanded Product: 144797-57-9

A solutionof 4-chloro-3,5-trifluorobenzonitrile (2) (5.0 g, 28.9 mmol) inconcentrated H2SO4 (98%, 92.0 g) was stirred for 1 h in an ice-bath.After being treated dropwise with the mixture of concentrated HNO3(65%, 2.0 g) and H2SO4 (98%, 2.2 g), the ice-bath was removed andthe mixture was stirred for another 6 h at about 102 . The reactionprogress was monitored by TLC (30% ethyl acetate in hexane). Aftercomplete conversion of compound 2, the reaction mixture was cooledto 0 by ice-bath, then treated dropwise with sodium nitrite solution(4.0 g in 25 mL water). After the addition, the mixture was stirred foranother 20 h at 120. The reaction progress was monitored by TLC(30% ethyl acetate in hexane). After cooling to room temperature,the reaction mixture was extracted with ethyl acetate (2×20 mL) andthe combined organic phases were dried over Na2SO4. The solventwas removed under reduced pressure to afford a white solid (6.9 g).The crude product was purified by using 20% ethylacetate:hexaneas eluent through column chromatography. The solvent was removedunder reduced pressure to afford a yellow solid 3 (6.5 g) in 94.9%yield.

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route 144797-57-9, its application will become more common.