Tag: M.W=100-200

Reference of 5414-21-1, These common heterocyclic compound, 5414-21-1, name is 5-Bromovaleronitrile, 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.

CH3Se3CH3 (100 mg, 0.53 mmol, Aldrich) was added to a solution of NaBH4 (60 mg, 1.59 mmol) in 5 ml of absolute EtOH under N2. After 5 min of vigorous reaction the colour of the solution changed from yellow to white. 5-Bromopentanenitrile (0.17 g, 1.06 mmol, Acros) was then added and stirred for 2.5 h. Et2O (10 ml) was added, the reaction mixture was washed with 5 ml each of water and brine, extracted with 2 x 25 ml of Et2O, and dried (MgSO4). The solvent was removed to give 10b as a yellow oil (107 mg, 57% yield). EI-ToF-MS (Fig. 2), m/z (rel. int.): 177 [M]+ (1200), 175 (28), 173 (15), 135 (10), 109 [CH3SeCH2]+ (33), 107 (17), 96 [CH3SeH]+ (27), 94 [CH2Se]+ (21), 93 [CHSe]+ (25), 82 (22), 55 (4). 1H NMR (500 MHz, CDCl3): delta1.75-1.88 (m, 4H, CH2CH2), 2.00 (s, 3H, CH3Se), 2.38 (t, 2H, J = 6.8 Hz, CH2CN), 2.57 (t, 2H, J = 6.9 Hz, CH2Se).

The synthetic route of 5414-21-1 has been constantly updated, and we look forward to future research findings.

Reference:
Article; Matich, Adam J.; McKenzie, Marian J.; Lill, Ross E.; Brummell, David A.; McGhie, Tony K.; Chen, Ronan K.-Y.; Rowan, Daryl D.; Phytochemistry; vol. 75; (2012); p. 140 – 152;,
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Electric Literature of 1885-38-7, 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. 1885-38-7, name is (E)-Cinnamonitrile belongs to nitriles-buliding-blocks compound, it is a common compound, a new synthetic route is introduced below.

(b) (2E)-3-Phenyl-2-propenimidamide; Cinnanionitrile (25.0 g, 194 mmol) was dissolved in EtOH. The solution was cooled to 0 0C and HCl gas bubbled through the solution for 30 minutes. The solution was stirred at ambient temperature for 1 h and then concentrated under vacuum. The residue was dissolved in EtOH (100 niL), cooled to 00C and a solution of NH3/Me0H (7M, 69 mL, 484 mmol) was added dropwise through an addition funnel. Once added, the solution was allowed to warm to ambient temperature and stirred overnight and the resulting NH4Cl was filtered off. The solution was concentrated under vacuum and the resulting product was used without further purification (28.6 g crude). LC-MS: m/z 147.4 (MH+).

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, (E)-Cinnamonitrile, other downstream synthetic routes, hurry up and to see.

Reference:
Patent; GLAXO GROUP LIMITED; WO2008/3690; (2008); A1;,
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Related Products of 1528-41-2, 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. 1528-41-2, name is Ethyl 2-(4-cyanophenyl)acetate belongs to nitriles-buliding-blocks compound, it is a common compound, a new synthetic route is introduced below.

A mixture of 1.0 g of 3,3-dimethylcyclohexanone (S6; 7.9 mmol), hydroxylamine hydrochloride (0.66 g,9.5 mmol), 10 mL of ethanol, and 1.6 g of K2CO3 (12 mmol) was heated to 70 C for 64 hours. Themixture was concentrated suspended in 10 mL of water, the extracted three times each with 30 mL ofEtOAc. The extracts were combined and concentrated to provide 1.2 g of 3,3-dimethylcyclohexanoneoxime (S7) that was used crude. To a 0 C solution of S7 (0.20 g, 1.4 mmol) in 2 mL of THF was added dropwise 1.6 M BuLi in hexanes(1.8 mL, 2.8 mmol). The mixture stirred for 30 minutes at room temperature, then ethyl 2-(4-cyanophenyl)acetate (0.27 g, 1.4 mmol) was added. After stirring for 1 hour, 0.7 mL of concentratedH2SO4 was added. After stirring for 1 hour, 25 mL of water was added and the mixture was extractedthree times each with 15 mL of EtOAc. The extracts were concentrated and the residue was purified firstby silica chromatography (0-50% EtOAc in heptanes), then by preparative HPLC (C18 column 10-90%MeCN in H2O, both 0.1% v/v formic acid) or give 41 mg of 16.

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, Ethyl 2-(4-cyanophenyl)acetate, other downstream synthetic routes, hurry up and to see.

Reference:
Article; Meyers, Kenneth; Cogan, Derek A.; Burke, Jennifer; Arenas, Raquel; Balestra, Michael; Brown, Nicholas F.; Chen, Zhidong; Cerny, Matthew A.; Clifford, Holly E.; Colombo, Federico; Fader, Lee; Frederick, Kosea S.; Guo, Xin; Goldberg, Daniel; Hornberger, Keith R.; Kugler, Stanley; Lord, John; Marshall, Daniel R.; Moss, Neil; Parmentier, Jean-Huges; Richman, Jeremy R.; Schmenk, Jennifer; Weldon, Steven M.; Yu, Maolin; Zhang, Michael; Bioorganic and Medicinal Chemistry Letters; vol. 28; 5; (2018); p. 979 – 984;,
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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. 654-70-6, name is 4-Cyano-3-trifluoromethylaniline, This compound has unique chemical properties. The synthetic route is as follows., Recommanded Product: 654-70-6

A mixture of 750 mg of the compound, produced under 7b, and 920 mg of 4-amino-2-(trifluoromethyl)benzonitrile in 10 ml of ethanol was mixed under a nitrogen atmosphere with 0.5 g of an activated molecular sieve (0.3 nm) and stirred for 2 days at 90 C. For working-up, the molecular sieve was filtered off after cooling, washed with ethanol, and the combined ethanol solutions were concentrated by evaporation. The residue was taken up in ethyl acetate and washed with water as well as saturated sodium chloride solution. After drying on sodium sulfate and concentration by evaporation, it was chromatographed on silica gel with ethyl acetate/hexane, and 731 mg of the title compound was thus obtained as a colorless oil. ESI-MS: 320

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 654-70-6.

Reference:
Patent; Schering AG; US2004/9969; (2004); A1;,
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1885-29-6, name is 2-Aminobenzonitrile, 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. name: 2-Aminobenzonitrile

b) 2- {[(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}benzonitrile To a solution of 2-aminobenzonitrile (3 g) in acetonitrile (30 ML) was added 5- (methoxymethylene) -2, 2-DIMETHYL-1, 3-dioxane-4,6-dione (4.73 g) in acetonitrile (10 mL). After 2 minutes of stirring, a fine suspension developed which was filtered to afford the titled product (4.3 g). H NMR (400 MHZ, D6-DMSO) 6 11.60 (1H, d), 8. 72 (1H, d), 7.93 (2H, t), 7.79 (1H, TD), 7.44 (1H, td), 1.70 (6H, s).

The synthetic route of 1885-29-6 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; ASTRAZENECA AB; WO2004/113303; (2004); A1;,
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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. 939-80-0, name is 4-Chloro-3-nitrobenzonitrile belongs to nitriles-buliding-blocks compound, it is a common compound, a new synthetic route is introduced below. Safety of 4-Chloro-3-nitrobenzonitrile

[00200] 4-(2,5-Difluorophenoxy)-3-nitrobenzonitrile 21. A solution of 4-chloro-3- nitrobenzonitrile (5 g) in THF (200 mL) at room temperature was treated with K2CO3 (19 g), followed by 2,5-difluorophenol (3.7 g). After stirring at room temperature for 18 hrs, the solid was filtered off and rinsed with copious amounts of EtOAc. The filtrate was washed sequentially with saturated aqueous NaHCU3 solution, water, and saturated aqueous NaCl solution, dried over anhydrous Na2SO4, filtered, and concentrated in vacuo. The residual was triturated with hexanes and collected by suction to furnish the desired product 21, which was used directly in the next step without further purification.

The synthetic route of 939-80-0 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; AXIKIN PHARMACEUTICALS, INC.; LY, Tai, Wei; TRAN, Marie Chantal, Siu-ying; BAAUM, Erik, Dean; WO2010/123956; (2010); A2;,
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Related Products of 6574-97-6, These common heterocyclic compound, 6574-97-6, name is 2,3-Dichlorobenzonitrile, 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.

Take dried 2L flask was refluxed for four devices, under nitrogen, into sulfolane 1200g, 280g of potassium fluoride, tetramethylammonium chloride 50g, 2,3- dichlorobenzonitrile 688g, open stirring slowly raised to 210 reaction was incubated 8h, the control sample, the end of the reaction raw material ?1percent.The reaction solution was added to a short column distillation, to give 2-fluoro-3-chlorobenzonitrile 560g, content ?99percent, yield 90percent.

The synthetic route of 6574-97-6 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; Zhejiang Yongtai Technology Co ., Ltd; Zhang, xing; Shu, zhujin; (10 pag.)CN104529729; (2016); B;,
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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. 868-54-2, name is 2-Aminoprop-1-ene-1,1,3-tricarbonitrile, A new synthetic method of this compound is introduced below., SDS of cas: 868-54-2

General procedure: In a 25 mL round bottom flask, a mixture of 2,3-dihydroxynaphthalene (1 mmol),aldehyde (1 mmol), malononitrile (1 mmol) or 2-aminoprop-1-ene-1,1,3-tricarbonitrile (1 mmol) and guanidine hydrochloride (10 mol%) were taken, and the mixture was stirred at 100C in an oil bath for an appropriate amount of time as indicated in Tables 3 and 4. The progress of the reaction was monitored by thin-layerchromatography (TLC). After completion, the reaction mixture was cooled to room temperature and CH3CN (5 mL) was added, and then a precipitate was allowed to form. The precipitate was filtered, washed with CH3CN and dried. The crude product was stirred for 5 min in boiling EtOH,and the resulting precipitate was filtered. The product 4 and 9 thus obtained was found to be pure upon 1H and 13CNMR, mass spectra, elemental analyses, and TLC examination.

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:
Article; Olyaei, Abolfazl; Shahsavari, Mohammad Sadegh; Sadeghpour, Mahdieh; Research on Chemical Intermediates; vol. 44; 2; (2018); p. 943 – 956;,
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Related Products of 14618-78-1, 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. 14618-78-1 name is 4,4-Dimethoxybutanenitrile, 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.

In a 500 ml four-necked flask,Add 100 grams of tetrahydrofuran,13.0 g (0.1 mol) of 4,4-dimethoxy-n-butyronitrile,13.0 g (0.1 mol) of 2,3-dichloropropenal,0.5 g DBU,Reaction at 60 C for 4 hours,The gas phase detection 1,4-addition reaction is completed.Cool down to 25-30 C,Add 15.0 grams of potassium carbonate,25.0 grams of 17% ammonia,8.0 grams of ammonium chloride,Reaction at 50 C for 5 hours,Cool down to 20-25 C,filter,20 grams of ice water wash filter cake,dry,Obtained 13.5 g of 5-chloro-7-azaindole,The liquid phase purity is 99.7%,The yield was 88.5%.

At the same time, in my other blogs, there are other synthetic methods of this type of compound, 4,4-Dimethoxybutanenitrile, and friends who are interested can also refer to it.

Reference:
Patent; Xin Fa Pharmaceutical Co., Ltd.; Qi Yuxin; Zhang Mingfeng; Wang Sheng; Li Guangqian; Ju Lizhu; (7 pag.)CN110128421; (2019); A;,
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Application of 326-62-5, 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. 326-62-5, name is 2-(2-Fluorophenyl)acetonitrile, This compound has unique chemical properties. The synthetic route is as follows.

To a solution of 2- (2-fluorophenyl) acetonitrile (5.4 g, 40 mmol) in anhydrous THF (50 mL) was added dropwise of LDA (26 mL, 52 mmol, 1.3 eq) at -78. After addition, the mixture was stirred at -78 for 0.5 h. Then methyl benzoate (6.0 g, 44 mmol, 1.1 eq) in THF (10 mL) was added slowly and stirred at RT overnight. The suspension was quenched with NH4Cl solution (30 mL) and extracted with EA. The organic phase was washed with water and brine, dried over anhydrous Na2SO4, filtered, and concentrated under reduced pressure to give 2- (2-fluorophenyl) -3-oxo-3-phenylpropanenitrile (12 g, crude) which was used directly to the next step without further purification. LC-MS: m/z 240.1 (M+H) +.

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

Reference:
Patent; AGIOS PHARMACEUTICALS, INC.; TRAVINS, Jeremy, M.; KONTEATIS, Zenon, D.; SUI, Zhihua; YE, Zhixiong; (199 pag.)WO2018/39972; (2018); A1;,
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