Day: January 4, 2021

Adding a certain compound to certain chemical reactions, such as: 81606-79-3, name is 2-(1,2,4-Triazol-1-yl)acetonitrile, belongs to Triazoles 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 81606-79-3, Computed Properties of C4H4N4

General procedure: A solution of aryl acetonitrile 2 (50 mg), and triethylamine (1.1 equiv.) in dimethylformamide dimethyl acetal (0.5 mL, 3.76 mmol) was heated in a microwave reactor at 120 C for 20 minutes. The mixture was cooled to RT, and solvents were then evaporated. To the resulting crude product 3 was added hydrazine mono-hydrobromide (3.0 equiv.), 200 proof EtOH (1.0 mL), and H2O (0.3 mL). The mixture was heated in a microwave reactor at 120 C for 20 minutes. The mixture was cooled to RT and concentrated in vacuo. The resulting residue was subjected to liquid-liquid extraction using saturated NaHCO3 (aq) and CH2Cl2. The organic layer was collected, dried over anhydrous MgSO4, filtered and removed under vacuum to afford 4.The resulting crude product 4 and 2-arylsubstitutedmalondialdehydes or 1,1,3,3tetramethoxypropane (1.0 equiv.) were dissolved in glacial AcOH (1.0 mL) and 200 proof EtOH (1.5 mL). The mixture was heated in a microwave reactor at 120 C for 20 minutes. After cooling on ice, the precipitate was collected on a fine scintered-glass frit and washed with icecold EtOH (2 x 1.0 mL). The resulting crystals 5-32 were dried and collected.

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, 2-(1,2,4-Triazol-1-yl)acetonitrile, other downstream synthetic routes, hurry up and to see.

Reference:
Article; Singleton, Justin D.; Dass, Reuben; Neubert, Nathaniel R.; Smith, Rachel M.; Webber, Zak; Hansen, Marc D.H.; Peterson, Matt A.; Bioorganic and Medicinal Chemistry Letters; vol. 30; 2; (2020);,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Adding a certain compound to certain chemical reactions, such as: 41253-21-8, name is Sodium 1,2,4-triazol-1-ide, belongs to Triazoles 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 41253-21-8, Recommanded Product: Sodium 1,2,4-triazol-1-ide

General procedure: 2-Chloro-N-(6-alkoxybenzo[d]thiazol-2-yl)acetamide (5 mmol) and sodium 1,2,4-triazole (6 mmol)were dissolved in N,N-dimethylformamide (10 mL) and stirred for 10 h at room temperature. Half of thesolvent was then evaporated, the solution was poured in 50 mL water, and extracted with ethyl acetate(30 mL 3). The ethyl acetate layer was dried over anhydrous MgSO4. After removing the solventunder reduced pressure, the crude product was obtained and recrystallized from dichloromethane toyield a white solid.N-(6-((3-Fluorobenzyl)oxy)benzo[d]thiazol-2-yl)-2-(1H-1,2,4-triazol-1-yl)acetamide (7a). White solid in55.1%. mp: 212-213 C. 1H-NMR (300 MHz, DMSO) delta12.73 (s, 1H, -CO-NH-), 8.59 (s, 1H, triazole-H),8.03 (s, 1H, triazole-H), 7.77-7.64 (m, 2H, Ar-H), 7.52-7.40 (m, 1H, Ar-H), 7.37-7.27 (m, 2H, Ar-H),7.23-7.10 (m, 2H, Ar-H), 5.33 (s, 2H, triazole -CH2-), 5.18 (s, 2H, -OCH2-). 13C-NMR (75 MHz, DMSO) delta166.31, 162.67 (d, J = 243.8 Hz), 156.09, 155.57, 152.04, 146.23, 142.99, 140.38 (d, J = 7.5 Hz), 133.21,130.94 (d, J = 8.4 Hz), 124.07 (d, J = 2.6 Hz), 121.88, 116.15, 115.08 (d, J = 21.0 Hz), 114.77 (d, J = 21.8 Hz),106.59, 69.42, 51.57. IR (KBr) cm-1: 1605.72, 1556.78 (C=N). Tof-MS: m/z [M + H]+ 383.65.

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, Sodium 1,2,4-triazol-1-ide, other downstream synthetic routes, hurry up and to see.

Reference:
Article; Liu, Da-Chuan; Zhang, Hong-Jian; Jin, Chun-Mei; Quan, Zhe-Shan; Molecules; vol. 21; 2; (2016);,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Related Products of 107534-96-3, 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. 107534-96-3, name is 3-((1H-1,2,4-Triazol-1-yl)methyl)-1-(4-chlorophenyl)-4,4-dimethylpentan-3-ol, This compound has unique chemical properties. The synthetic route is as follows.

First, tebuconazole (184 mg, 0.6 mmol) was dissolved in anhydrous dichloromethaneIn (CH2Cl2, 15 mL), add triethylamine(C6H15N, 730 mg, 7.2 mmol), after stirring in an ice bath for 5 minutes,Addition of monoethylmonosuccinate (C6H9ClO3, 988 mg, 6 mmol)Stir overnight at room temperature, followed by washing with water and saturated saline(15 mL¡Á3, respectively), after drying the dichloromethane with anhydrous sodium sulfate,It was filtered, evaporated to dryness under reduced pressure to give the intermediate product (about 400 mg).Used directly for the next hydrolysis. The product structure was characterized by LC/MS.

The chemical industry reduces the impact on the environment during synthesis 3-((1H-1,2,4-Triazol-1-yl)methyl)-1-(4-chlorophenyl)-4,4-dimethylpentan-3-ol. I believe this compound will play a more active role in future production and life.

Reference:
Patent; Henan University of Science and Technology; Chen Xiujin; Li Zhaozhou; Wang Yao; Gao Hongli; Li Zhili; Cao Li; Li Daomin; Xu Chuanlai; (16 pag.)CN106674138; (2017); A;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

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. 1001401-62-2, name is 2-(2H-1,2,3-Triazol-2-yl)benzoic acid belongs to Triazoles compound, it is a common compound, a new synthetic route is introduced below. name: 2-(2H-1,2,3-Triazol-2-yl)benzoic acid

A solution of 2-(2H-1,2,3-triazol-2-yl)benzoic acid (4.3 g, 0.023 mol) in 15 mL of 50C12 was heated at 50 C for 30 mins. After cooling to RT, the mixture was concentrated in vacuo to remove the solvent. To a solution of the product from step 1 (3.3 g, 0.02 mol) and TEA (8.7 mL, 0.06 mol) in dry DCM (10 mL) at 0 C was added a solution of the above residue inDCM (10 mL) dropwise. The resulting mixture was stirred at RT overnight. The mixture was filtered and the filtrate was concentrated in vacuo. The residue was purified by silica gel column chromatography (50% EtOAc in petroleum ether) to give the title compound as an oil. LRMS m/z (M+H) 331.1 found, 331.2 required.

The synthetic route of 1001401-62-2 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; MERCK SHARP & DOHME CORP.; KUDUK, Scott, D.; LIVERTON, Nigel; LUO, Yunfu; (58 pag.)WO2016/89722; (2016); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Related Products of 956317-36-5, These common heterocyclic compound, 956317-36-5, name is 5-Methyl-2-(2H-1,2,3-triazol-2-yl)benzoic acid, 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: A mixture of the primary amine, 5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoic acid 31 (0.33 g, 1.6 mmol), N,N-diisopropylethylamine(DIPEA, 2.5 mL, 14.7 mmol), and 1-[bis(dimethylamino)methylene]-1H-1,2,3-triazolo[4,5-b]pyridinium 3-oxide hexafluorophosphate(HATU, 0.91 g, 2.4 mmol) in DMF (3.2 mL) was stirredat room temperature for 17 h. The reaction was quenched by theaddition of water, and the mixture was extracted with EtOAc.The organic layer was washed with brine, dried over Na2SO4, filtered,and concentrated under reduced pressure. The resulting residuewas purified by preparative HPLC to obtain the title compound7a as a colorless solid (0.18 g, 28% over 2 steps).

Statistics shows that 5-Methyl-2-(2H-1,2,3-triazol-2-yl)benzoic acid is playing an increasingly important role. we look forward to future research findings about 956317-36-5.

Reference:
Article; Futamura, Aya; Nozawa, Dai; Araki, Yuko; Tamura, Yunoshin; Tokura, Seiken; Kawamoto, Hiroshi; Tokumaru, Yuichi; Kakihara, Sora; Aoki, Takeshi; Ohtake, Norikazu; Bioorganic and Medicinal Chemistry; vol. 25; 20; (2017); p. 5203 – 5215;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Reference of 41253-21-8, A common heterocyclic compound, 41253-21-8, name is Sodium 1,2,4-triazol-1-ide, molecular formula is C2H2N3Na, 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 suspension of 18 g sodium triazolide in 170 g DMF was heated to 90C. At this temperature 47,3 g of 78,3 wt-% racemic (3SR,7RS)-7-(4-chloro-benzyl)-4,4-dimethyl-1 – oxa-spiro[2.4]heptane (racemic mixture of IXa/IXb), prepared according to example 10, were added, followed by stirring of the mixture for 6 h at 90C. Then 129 g of the DMF were distilled off at 50C/3mbar. To the resulting residue 87 g water and 320 g of MCH were added and the phases were separated at 65C. The aqueous phase was extracted with 100 g fresh MCH at 65C. The combined MCH solutions were washed three times with 80 g water. Thereafter the MCH solution was concentrated to 309 g at 80C/500-400 mbar. For crystallization the solution was cooled from 80C to 0C with a rate of 6K/h. After stirring overnight the product was isolated by filtration. The filter cake was washed twice with 50 g of ice-cold MCH and then dried in a vacuum dryer at 50C/8 mbar. Thus 36.4 g of cis-metconazole were obtained, having a purity of 97.1 %, determined by quantitative GC-analysis, corresponding to a yield of 74.5%. Melting point: 1 12C H-NMR (500 MHz, CDCI3): delta/ppm = 0.62 (s, 3H), 1 .04 (s, 3H), 1 .28-1 .48 (m, 2H), 1 .64-1 .82 (m, 2H), 2.25 -2.52, (m, 3H), 3.87-3.94 (s, broad OH), 4.19 (d, 1 H) 4.28 (d, 1 H), 7.10 (d, 2H), 7.20 (d, 2 H), 7,.98 (s, 1 H), 8.21 (s, 1 H) 3C-NMR (125 MHz, CDC ): delta /ppm = 21 .94 (q), 25.08 (q), 27.20 (t), 35.83 (t), 38.07 (t), 46.29 (s), 46.86 (d), 53.92 (t), 82.37 (s), 128.36 (d, 2C), 130.19 (d, 2C), 131.46 (s), 139.71 (s), 144.30 (d), 151.37 (d)

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:
Patent; BASF AGRO B.V., ARNHEM (NL), ZUeRICH-BRANCH; ZIERKE, Thomas; KEMPER, Paul; WO2013/117629; (2013); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Synthetic Route of 584-13-4, 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. 584-13-4, name is 4H-1,2,4-Triazol-4-amine belongs to Triazoles compound, it is a common compound, a new synthetic route is introduced below.

General procedure: In a typical experiment Pd(OAc)2 (5.6mg, 0.025mmol), triphenylphosphine (13.2mg, 0.05mmol), iodoalkene (1-4) or iodoarene (5-19) (1mmol) were dissolved in DMF (10mL) under argon in a three-necked flask equipped with a reflux condenser and a balloon on the top. Aminotriazole nucleophile (a, b or c) (1.2mmol) and triethylamine (0.5mL) were added. The atmosphere was changed to carbon monoxide. (Caution: High pressure carbon monoxide should only be used with adequate ventilation (hood) using CO sensors as well.) The reaction was conducted for the given reaction time upon stirring at 70C. The mixture was then concentrated and evaporated to dryness. Toluene (15mL) was added to the residue, the precipitate (product) was filtered, washed with water on the filter and dried. The off-white powder-like material was dissolved in methanol, the palladium-black was filtered off and methanol was evaporated.

The synthetic route of 4H-1,2,4-Triazol-4-amine has been constantly updated, and we look forward to future research findings.

Reference:
Article; Gergely, Mate; Boros, Borbala; Kollar, Laszlo; Tetrahedron; vol. 73; 48; (2017); p. 6736 – 6741;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

These common heterocyclic compound, 288-88-0, name is 1H-1,2,4-Triazole, 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. name: 1H-1,2,4-Triazole

(ii) Preparation of crude anastrozole of formula-I; Into a 10L, three-necked RB flask was charged l.4kg of above crude compound of formula-V and 7L of anhydrous DMF. The reaction mass was stirred for 30min and added 0.65kg of solid sodium triazole (prepared by reaction of molar quantities of 1,2,4- IH-triazole and sodium hydroxide in isopropanol at reflux temperature and isolated by filtering of the reaction mass at room temperature) in lots keeping the temperature below 25 C. The reaction mass was maintained under stirring at this temperature for 4hr. HPLC of the reaction mass indicated the absence of starting material. The reaction mass was transferred into a 50L flask containing 21L of water and stirred for 30min. Reaction mass was extracted with toluene (2 x 3L and 1 x 1L). Toluene layers were combined and . washed with water (2 x 2L). Toluene was distilled of from the filtrate under vaccum to get 1.2kg of crude anastrozole.; (ii) Preparation of crude anastrozole; Into a 1 L, three-necked RB flask was charged 60g of sodium triazole monohydrate (prepared by reaction of molar quantities of 1,2,4-IH-triazole and sodium hydroxide in isopropanol at reflux temperature and isolated by filtering of the reaction mass at room temperature) and 200ml of dry DMF under nitrogen atmosphere. The reaction mass was cooled to 20 C. A solution of the above bromo compound of formula-V (140g) in toluene (200ml) was added to the reaction mass over a period of 2hr. The reaction mass was maintained at this temperature until the completion of reaction. The reaction mass was transferred into 3L flask containing 1.5L of water and stirred for 30min. Reaction mass was extracted with toluene (2 x 300ml and 1 x 100ml). Toluene layers were combined and washed with water (2 x 200ml). Toluene layer was treated with activated carbon (5g) and filtered. Toluene was distilled of from the filtrate under vaccum to get 130g of crude anastrozole.

The synthetic route of 1H-1,2,4-Triazole has been constantly updated, and we look forward to future research findings.

Reference:
Patent; NATCO PHARMA LIMITED; PULLA REDDY, Muddasani; VENKAIAH CHOWDARY, Nannapaneni; WO2005/105762; (2005); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Reference of 1001401-62-2, 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. 1001401-62-2, name is 2-(2H-1,2,3-Triazol-2-yl)benzoic acid, This compound has unique chemical properties. The synthetic route is as follows.

Step (vii): tert-Butyl N-{4-[(4-methoxyphenyl)methoxy]-2-[2-(2H-1,2,3-triazol-2-yl)benzamido]cyclopentyl}carbamate To a solution of tert-butyl N-{2-amino-4-[(4-methoxyphenyl)methoxy]cyclopentyl}-carbamate (1.71 g, 5.08 mmol) in dry DMF (17 ml) was added 2-(2H-1,2,3-triazol-2-yl)benzoic acid (CAS number 1001401-62-2; 1.06 g, 5.59 mmol), HATU (2.90 g, 7.62 mmol) and triethylamine (2.13 ml, 15.25 mmol). The reaction was stirred at room temperature for 72 hours then partitioned between ethyl acetate and water. The organics were washed with brine, dried over magnesium sulfate, filtered and concentrated in vacuo. The crude material was purified by column chromatography (silica, 0-100% ethyl acetate petrol) to afford the title compound. 1H NMR (400 MHz, DMSO-d6) delta ppm 1.37 (s, 9H), 1.46-1.59 (m, 1H), 1.58-1.77 (m, 1H), 1.86-1.97 (m, 1H), 2.18-2.37 (m, 1H), 3.67-3.79 (m, 4H), 3.83-4.01 (m, 2H), 4.32 (s, 2H), 6.85-6.95 (m, 2H), 7.17-7.31 (m, 2H), 7.44-7.54 (m, 2H), 7.55-7.66 (m, 1H), 7.76 (s, 1H), 7.96-8.05 (m, 2H) MS ES+: 508

The chemical industry reduces the impact on the environment during synthesis 2-(2H-1,2,3-Triazol-2-yl)benzoic acid. I believe this compound will play a more active role in future production and life.

Reference:
Patent; Takeda Pharmaceutical Company Limited; Fieldhouse, Charlotte; Glen, Angela; Maine, Stephanie; Fujimoto, Tatsuhiko; Robinson, John Stephen; US2015/232460; (2015); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Reference of 1186050-58-7, 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. 1186050-58-7, name is 2-Fluoro-6-(2H-1,2,3-triazol-2-yl)benzoic acid belongs to Triazoles compound, it is a common compound, a new synthetic route is introduced below.

To a 3-necked, 3 L, round- bottomed flask equipped with a nitrogen line, temperature probe, heating mantle, reflux condenser, mechanical stirrer, and 1 N aq. NaOH scrubber were added 2-fluoro-6-[1 ,2,3]triazol-2-yl-benzoic acid (Intermediate 12, 120.98 g, 75 wt%, 90.74 g actual, 438 mmol) and toluene (1 L). The mixture was warmed to 50 oC for 1 h with stirring. The mixture was then cooled to 25 oC and thionyl chloride (47.9 mL, 657 mmol) was added. The mixture was warmed back to 50 oC and held for 1 h. During this time, in a separate 5 L jacketed reactor equipped with a mechanical stirrer and temperature probe were added toluene (600 mL), aqueous sodium carbonate (185.7 g, 1 .75 mol in 1 .6 L water), and 2- (4,6-dimethyl-pyrimidin-2-yl)-octahydro-pyrrolo[3,4-c]pyrrole*HOAc(Intermediate 23, 122 g, 438 mmol). This biphasic mixture was cooled to 0 oC. After cooling to 0 oC, the original slurry was poured through a filter and over the stirring biphasic mixture of amine and aqueous sodium carbonate. The mixture was allowed to warm to room temperature. After 2 h, additional 2-(4,6- dimethyl-pyrimidin-2-yl)-octahydro-pyrrolo[3,4-c]pyrrole*HOAc (4 g, 14 mmol) was added and the mixture was stirred for 30 additional minutes. At the end of this period, the layers were separated and 100 mL of methanol were added to the organic layer. The organic layer was dried over MgSO , filtered, and concentrated to a white solid. This solid was taken up in ethanol (1 .4 L) and warmed to 77 oC. The mixture was then cooled to 55 oC and seeded with previously crystallized material. (Note: The seeds were generated from slurrying the initial product in 2-propanol at room temperature [100 mg/mL]). The mixture was cooled to room temperature at a rate of 5 oC per hour. After stirring at room temperature for 14 h, the mixture was filtered and dried to provide the final product as a white crystalline solid (136.84 g, 74%). 1H NMR (400 MHz, CDCIs): 7.88 – 7.78 (m, 1 .78H), 7.75 – 7.69 (s, 1 .22H), 7.51 – 7.43 (m, 1 H), 7.17 – 7.1 1 (m, 1 H), 6.30 – 6.28 (m, 1 H), 4.03 – 3.48 (m, 7H), 3.29 – 3.21 (m, 1 H), 3.15 – 2.92 (m, 2H), 2.30 (s, 6H). MS (ESI) mass calcd forC21 H22FN7O, 407.19; m/z found, 408 [M+H]+. Anal, calcd. for C21 H22FN7O C, 61 .90, H, 5.44, N, 24.06; found C, 61 .83, H, 5.42, N, 24.08

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, 2-Fluoro-6-(2H-1,2,3-triazol-2-yl)benzoic acid, other downstream synthetic routes, hurry up and to see.

Reference:
Patent; JANSSEN PHARMACEUTICA NV; CHAI, Wenying; LETAVIC, Michael, A.; LY, Kiev, S.; PIPPEL, Daniel, J.; RUDOLPH, Dale, A.; SAPPEY, Kathleen, C.; SAVALL, Brad, M.; SHAH, Chandravadan, R.; SHIREMAN, Brock, T.; SOYODE-JOHNSON, Akinola; STOCKING, Emily, M.; SWANSON, Devin, M.; WO2011/50198; (2011); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics