Tag: M.W=0-100

Synthetic Route of 16681-65-5, New Advances in Chemical Research in 2021.In classical electrochemical theory, both the electron transfer rate and the adsorption of reactants at the electrode control the electrochemical reaction. 16681-65-5, name is 1-Methyl-1H-1,2,3-triazole, molecular formula is C3H5N3, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, below Introduce a new synthetic route.

1-methyl-1H-1,2,3-triazole was prepared according to the literature reference WO2008/98104. To a 2 L flask containing 1-methyl-1H-1,2,3-triazole (9 g, 108.3 mmol) was added THF (1500 mL) and the solution was cooled to -40 C. To this colorless homogeneous solution was added n-butyllithium (2.5 M in hexanes, 45 mL, 112.5 mmol) dropwise which immediately afforded a dark brown viscous mixture. The mixture was kept between -10 to -20 C. for 60 minutes, then a THF solution of 2,4-dimethylthiazole-5-carbaldehyde (17.2 g, 121.8 mmol in 200 mL THF) was introduced via cannula. Once the aldehyde was added the reaction was allowed to warm to room temperature. After 3 hours, the reaction was quenched by pouring into a saturated solution of aqueous NH4Cl. The aqueous portion was extracted with EtOAc in portions, 7*400 mL. The combined organics were washed with brine, dried over MgSO4, filtered and concentrated to give a brown oil. Chromatography on silica gel (10% acetone-DCM increasing to 50% acetone and increasing to 10% MeOH-DCM) provided the title compound as an amber solid.

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Reference:
Patent; Janssen Pharmaceutica NV; Leonard, Kristi A.; Barbay, Kent; Edwards, James P.; Kreutter, Kevin D.; Kummer, David A.; Maharoof, Umar; Nishimura, Rachel; Urbanski, Maud; Venkatesan, Hariharan; Wang, Aihua; Wolin, Ronald L.; Woods, Craig R.; Pierce, Joan; Goldberg, Steven; Fourie, Anne; Xue, Xiaohua; US2014/107094; (2014); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Research speed reading in 2021. In classical electrochemical theory, both the electron transfer rate and the adsorption of reactants at the electrode control the electrochemical reaction. 288-36-8, name is 1H-1,2,3-Triazole belongs to triazoles compound, it is a common compound, a new synthetic route is introduced below. HPLC of Formula: C2H3N3

Examples 61 and 62; The product of preparation 53 (500mg, 1. 98mmol), 1H-1, 2, 3-triazole (204mg, 2. 96mmol) and potassium carbonate (546mg, 3. 96mmol) were stirred for 18 hours in a mixture of acetonitrile (5mL) and N, N-dimethylformamide (2mL). The solvent was then evaporated under reduced pressure and the residue was partitioned between ethyl acetate (20mL) and water (10mL). The organic phase was separated, washed with 1M hydrochloric acid (3x10mL), sodium hydrogen carbonate solution (10mL) and brine (10mL), dried over magnesium sulfate and concentrated in vacuo to provide an intermediate residue. The residue was then dissolved in xylene (7mL) and 2-methoxy-5-aminopyridine (491mg, 4mmol) and para-toluenesulfonic acid (cat) were added. The reaction mixture was heated at 140C for 6 hours then the solvent was evaporated under reduced pressure. The resulting black residue was partitioned between ethyl acetate (30mL) and water (10mL). The organic phase was separated, washed with citric acid (2x10mL), sodium hydrogen carbonate solution (10mL) and brine (10mL), dried over magnesium sulfate and concentrated in vacuo to provide a pale yellow oil. Purification by column chromatography on silica gel, eluting with pentane: ethyl acetate, 80: 20 to 20: 80, afforded the title compound of example 61 as a solid in quantitative yield, 230mg. Further elution with pentane: ethyl acetate, 10: 90 to 0: 100, afforded the product of example 62 in quantitative yield. Example 61 5-[3-(4-Ethoxy-3-methyl-phenyl)-5-[1,2,3]triazol-2-ylmethyl-[1,2,4]triazol-4-yl]-2- methoxy-pyridine ‘H NMR (CDCi3, 400MHz) a : 1.40 (t, 3H), 2.15 (s, 3H), 3.95-4. 05 (m, 5H), 5.70 (s, 2H) 6.65-6. 75 (m, 2H), 7.00-7. 05 (m, 1H), 7.18-7. 25 (m, 1H), 7.35 (m, 1H), 7.55 (s, 2H) 7.90 (s, 1 H). MS APCI+ m/z 392 [MH] + Microanalysis : found (%) C (61.06), H (5.40), N (24.80) ; C20H21N7O2 requires: (%) C (61.36), H (5.40), N (25.05) Example 62 5-[3-(4-Ethoxy-3-methyl-phenyl)-5-[1,2,3]triazol-1-ylmethyl-[1,2,4]triazol-4-yl]-2- methoxv-yridine ‘H NMR (CDCI3, 400MHz) d : 1.40 (t, 3H), 2.15 (s, 3H), 3.95-4. 05 (m, 5H), 5.65 (s, 2H) 6.65-6. 75 (d, 1H), 6.78-6. 82 (d, 1H), 7.00-7. 05 (brd, 1H), 7.15-7. 20 (d, 1H), 7.35 (s, 1 H), 7.70 (s, 1 H) 7.80 (s, 1 H), 7.90 (brs, 1 H). MS APCI+ m/z 392 [MH] + Microanalysis : found (%) C (61.20), H (5.36), N (24.86) ; C20H2’N702 requires: (%) C (61.36), H (5.40), N (25.05)

Sometimes chemists are able to propose two or more mechanisms that are consistent with the available data. If a proposed mechanism predicts the wrong experimental rate law, however, the mechanism must be incorrect.Welcome to check out more blogs about 1H-1,2,3-Triazole, in my other articles.

Reference:
Patent; PFIZER LIMITED; PFIZER INC.; WO2005/82866; (2005); A2;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Research speed reading in 2021. In classical electrochemical theory, both the electron transfer rate and the adsorption of reactants at the electrode control the electrochemical reaction. 16681-65-5, name is 1-Methyl-1H-1,2,3-triazole belongs to triazoles compound, it is a common compound, a new synthetic route is introduced below. SDS of cas: 16681-65-5

Example 123: tert-butyl-3-((4-chloro-2-methoxy-3-(4-(trifluoromethyl)benzyl)quinolin-6-yl)(hydroxy)(1-methyl-1H-1,2,3-triazol-5-yl)methyl)azetidine-1-carboxylate To a flask containing 1 -methyl- 1 H- 1 ,2,3-triazole (430 mg, 0,8 mmol) was added THF (15 mL) and the solution was cooled to -43 C using a CH3CN-C02bath. Then, -BuLi, (2.5 M in hexanes, 0.7 mL, 1.75 mmol) was added dropwise. The reaction mixture was stirred at -40 C for 30 minutes, then tert-butyl-3-(4-chloro-2-methoxy-3-(4-(trifluoromethyr)benzyl)quinoline-6- carbonylj-azetidine- 1 -carboxylate (430 mg, 0.8 mmol, intermediate 61 : step b) in 2 mL THF was introduced. The reaction mixture was allowed to warm to room temperature over 30 minutes, and was quenched after 45 minutes with aqueous NH4C1 solution. The aqueous portion was extracted with EtOAc (3 x 30 mL). The combined organics were washed with brine, dried over MgS04, filtered and concentrated. Chromatography on Silica gel (10% acetone-hexane increasing to 30% acetone) afforded the title compound as a white amorphous solid. H NMR (500 MHz, CDCI3) 5 8.24 (d, J = 2.1 Hz, 1H), 7.78 (d, J= 8.8 Hz, IH), 7.56 – 7.47 (m, 3H), 7.40 (d. J ——- 8.1 Hz, 2H), 7.35 (dd, J = 8.7, 2.1 Hz, }. 4.35 (s, 2H), 4.20 (t, J = 8.8 Hz, IH), 4.07 (s,3H), 4.00 (dd, J = 9.3, 5.6 Hz, IH), 3.92 (dd, J = 8.9, 5.7 Hz, IH), 3.67 (s, 3H), 3.62 (t, J = 8.8 Hz, I H), 3.52 – 3.38 (m, IH), 1.38 (s, 9H); MS (ESI): mass calcd: Chemical Formula: C3oH3]ClF3504; Exact Mass: 617.2, m/z found 617.8 | M I I | .

Sometimes chemists are able to propose two or more mechanisms that are consistent with the available data. If a proposed mechanism predicts the wrong experimental rate law, however, the mechanism must be incorrect.Welcome to check out more blogs about 1-Methyl-1H-1,2,3-triazole, in my other articles.

Reference:
Patent; JANSSEN PHARMACEUTICA NV; LEONARD, Kristi A.; BARBAY, Kent; EDWARDS, James P.; KREUTTER, Kevin D.; KUMMER, David A.; MAHAROOF, Umar; NISHIMURA, Rachel; URBANSKI, Maud; VENKATESAN, Hariharan; WANG, Aihua; WOLIN, Ronald L.; WOODS, Craig R.; FOURIE, Anne; XUE, Xiaohua; CUMMINGS, Maxwell D.; JONES, William Moore; GOLDBERG, Steven; WO2015/57205; (2015); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

New discoveries in chemical research and development in 2021. The dynamic chemical diversity of the numerous elements, ions and molecules that constitute the basis of life provides wide challenges and opportunities for research. 41253-21-8, name is Sodium 1,2,4-triazol-1-ide belongs to triazoles compound, it is a common compound, a new synthetic route is introduced below. COA of Formula: C2H2N3Na

a stirrer after replacement with nitrogen,Add the thermometer and condenser to the reaction bottle1-(4-chlorophenyl)-4,4-dimethyl-3-butanone100g,Trimethyl thionyl chloride 63g,28 g of potassium hydroxide and 100 g of dimethyl sulfoxide (DMSO) and stirred.After 40 C reaction to 1 – (4 – chlorophenyl) – 4,4 – dimethyl -3 – pentanone reaction,Add sodium triazole sodium 60g, react at 120 C,After the reaction, desolvation, add 100 g of methylcyclohexane, and wash with 30 g of water.Layering at 70 C, recrystallization from water at 25 C,After suction filtration, the mixture was dried to obtain 130 g of tebuconazole, the yield was 91%, and the purity was 96%.

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Reference:
Patent; Jiangsu Qi Zhou Green Chemical Co., Ltd.; Wu Tianyu; Liu Yuchao; Tao Yachun; Cai Junyi; Wang Hai; (6 pag.)CN109336848; (2019); A;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Research speed reading in 2021. In classical electrochemical theory, both the electron transfer rate and the adsorption of reactants at the electrode control the electrochemical reaction. 74205-82-6, name is (1H-1,2,4-Triazol-1-yl)methanol belongs to triazoles compound, it is a common compound, a new synthetic route is introduced below. Application In Synthesis of (1H-1,2,4-Triazol-1-yl)methanol

Step 2. Preparation of 1-(chloromethyl)-1H-1,2,4-triazole To a solution of (1H-1,2,4-triazol-1-yl)methanol (1.0 g, 10.09 mmol) in dichloroethane (20 ml) thionyl chloride (1.105 ml, 15.14 mmol) was added and the reaction mixture was stirred at 100 C. for 4 hours. The reaction mixture was cooled to 30 C., poured into H2O (25 mL) and extracted with dichloromethane (3*20 mL). The combined organic layers was washed with H2O (50 mL) & brine solution (50 mL), dried over Na2SO4 and evaporated in rotavapor under vacuum to yield 1-(chloromethyl)-1H-1,2,4-triazole (0.570 g, 48%) as brown liquid.

Sometimes chemists are able to propose two or more mechanisms that are consistent with the available data. If a proposed mechanism predicts the wrong experimental rate law, however, the mechanism must be incorrect.Welcome to check out more blogs about (1H-1,2,4-Triazol-1-yl)methanol, in my other articles.

Reference:
Patent; CADILA HEALTHCARE LIMITED; DESAI, Ranjit C.; PINGALI, Harikishore; (40 pag.)US2016/83380; (2016); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

New discoveries in chemical research and development in 2021. The transformation of simple hydrocarbons into more complex and valuable products via catalytic C–H bond functionalisation has revolutionised modern synthetic chemistry. 61-82-5, name is 1H-1,2,4-Triazol-5-amine belongs to triazoles compound, it is a common compound, a new synthetic route is introduced below. Computed Properties of C2H4N4

General procedure: A mixture of 1,2,4-triazol-3-amine 1 (1 mmol), aromatic aldehydes2a-o (1 mmol) and 1,3-cyclohexanedione 3 (1 mmol) were taken into a RB flask, irradiated under MW at 150 W for 60 s. The progress ofthe reaction was observed by TLC. After cooling, the reaction mass becamegummy,washed thoroughlywith 1:1 hexane and ethyl ethanoateto afford the compounds 4a-o (Scheme 1).

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Reference:
Article; Sompalle, Rajesh; Arunachalam, Prabhakarn; Roopan, Selvaraj Mohana; Journal of Molecular Liquids; vol. 224; (2016); p. 1348 – 1357;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Related Products of 49607-51-4, New discoveries in chemical research and development in 2021. We’ll be discussing some of the latest developments in chemical about CAS: 49607-51-4, name is 1-Methyl-1H-1,2,4-triazol-3-amine, 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: To a solution of 9 (88 mg, 0.5 mmol) in DMF (10 mL) was added Cs2CO3 (179 mg, 0.55 mmol) and 1-(chloromethyl)-3-iodobenzene (151 mg, 0.52 mmol). The resulting reaction mixture was stirred at 40-50 C for 3 h, and then the solvent was removed under reduced pressure. The residue was dissolved in EtOAc (30 mL). The organic layer was washed with brine (10 mL 3) and then dried over anhydrous Na2SO4 and concentrated in vacuo. The residue was purified by using column chromatography to afford the corresponding product 10a in 75percent yield. To a solution of 10a (102 mg, 0.26 mmol), the corresponding amines (0.31 mmol) in 1, 4-dioxane (15 mL) was added Pd2(dba)3 (7.3 mg, 0.008 mmol), Xantphos (5 mg, 0.008 mmol) and Cs2CO3(101 mg, 0.31 mmol) under nitrogen atmosphere. The reaction mixture was heated to 90 C with stirring overnight. The solution was concentrated under reduced pressure, and then the residue was purified by column chromatography on silica gel to afford compounds .4.3.1. 2-(3-((1-Methyl-1H-1,2,4-triazol-3-yl)amino)benzyl)-6-(1-methyl-1H-pyrazol-4-yl)pyridazin-3(2H)-one (14)white solid (76percent). 1HNMR (300 MHz, DMSO-d6) d 9.11 (s, 1H),8.20 (s, 1H), 8.12 (s, 1H), 7.91 (s, 1H), 7.78 (d, J 9.6 Hz, 1H), 7.48 (s,1H), 7.43 (d, J 8.1 Hz, 1H), 7.14 (t, J 7.8 Hz, 1H), 7.01 (d, J 9.6 Hz,1H), 6.71 (d, J 7.5 Hz, 1H), 5.16 (s, 2H), 3.85 (s, 3H), 3.70 (s, 3H).13CNMR (126 MHz, DMSO-d6) d 160.7, 159.0, 143.3, 142.7, 140.0, 137.7,137.1, 131.7, 130.5, 129.7, 129.2, 118.8, 118.5, 115.1, 54.77, 39.2, 36.0.MS (ESI) m/z 363.2 [MH].

The result showed that such a combination of chemo- and biocatalysis improved the catalytic yield more than two times compared with that of sole metal catalysis.I hope my blog about 1-Methyl-1H-1,2,4-triazol-3-amine is helpful to your research.

Reference:
Article; Liu, Yang; Jin, Shiyu; Peng, Xia; Lu, Dong; Zeng, Limin; Sun, Yiming; Ai, Jing; Geng, Meiyu; Hu, Youhong; European Journal of Medicinal Chemistry; vol. 108; (2016); p. 322 – 333;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Reference of 584-13-4, New Advances in Chemical Research in 2021.Reactions catalyzed within inorganic and organic materials and at electrochemical interfaces commonly occur at high coverage and in condensed media, 584-13-4, name is 4H-1,2,4-Triazol-4-amine, molecular formula is C2H4N4, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, below Introduce a new synthetic route.

General procedure: Synthesis of triazole Schiff?s bases was reportedpreviously [44]. Briefly, 4-arylimino-1,2,4-triazoles (1-14)and 3-arylimino-1,2,4-triazoles (15-23) were synthesized byrefluxing 4-amino-1,2,4-triazoles, or 3-amino-1,2,4-triazoles(2 mM) with equimolar amounts of substituted benzaldehydeand H2SO4 (2 mL) in ethanol (15 mL) for 4-10 h. Reactionprogress was monitored by TLC under UV light at 254 and365 nm or via exposure to iodine vapours. After completionof reaction, the solvent was vaporised under reducedpressure on a rotary evaporator. Resulting compounds werewashed with hexane and crystallized from ethanol to obtain apure compounds.

The result showed that such a combination of chemo- and biocatalysis improved the catalytic yield more than two times compared with that of sole metal catalysis.I hope my blog about 4H-1,2,4-Triazol-4-amine is helpful to your research.

Reference:
Article; Choudhary, Muhammad I.; Imad, Rehan; Khan, Khalid M.; Naqeeb, Uzma; Shaikh, Muniza; Siddiqui, Salman; Subzwari, Fakiha; Zafar, Humaira; Medicinal Chemistry; vol. 16; 4; (2020); p. 575 – 591;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

New discoveries in chemical research and development in 2021. The dynamic chemical diversity of the numerous elements, ions and molecules that constitute the basis of life provides wide challenges and opportunities for research. 74205-82-6, name is (1H-1,2,4-Triazol-1-yl)methanol belongs to triazoles compound, it is a common compound, a new synthetic route is introduced below. category: Triazoles

General procedure: To a solution of indolines 6 (1.0 mmol) dissolved in acid (1.0 ml) in an icebath was added (1H-1,2,4-triazol-1-yl)methanol 5 (ammount as given in Table 1). Themixture was then stirred under the temperature and time given in Table 1. After completion of the reaction (TLC), the reaction mixture was poured intoice water, and 20% NaOH solution was added slowly to adjust the pH to 9. The product was extracted with dichloromethane. After removal of the solvent, theresidue was chromatographed over silica gel using dichloromethane-methanol togive 7 (yield as given in Table 1). The analytical and spectroscopic data for 7b and 7c are given below

If you are hungry for even more, make sure to check my other article about 74205-82-6, the application of this compound in the production field has become more and more popular.

Reference:
Article; He, Yi; Li, Xiaolong; Li, Jue; Li, Xiaocen; Guo, Li; Hai, Li; Wu, Yong; Tetrahedron Letters; vol. 55; 29; (2014); p. 3938 – 3941;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Related Products of 49607-51-4, New Advances in Chemical Research in 2021.Reactions catalyzed within inorganic and organic materials and at electrochemical interfaces commonly occur at high coverage and in condensed media, 49607-51-4, name is 1-Methyl-1H-1,2,4-triazol-3-amine, molecular formula is C3H6N4, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, below Introduce a new synthetic route.

3-Chloro-4-methylfuran-2,5-dione (625 mg, 4.27 mmol, 1.00 equiv) and 1-methyl-1H-1,2,4-triazole-3-amine (419 mg, 4.15 mmol, 1.00 equiv) were dissolved in toluene (10 ml), 4-toluenesulfonic acid monohydrate (12 mg, 0.06 mmol, 0.02 equiv.) was added and the mixture was stirred under microwave conditions at a temperature of 100 C. for 30 minutes. After cooling to room temperature, water and ethyl acetate were added and the reaction mixture was extracted. The aqueous phase was repeatedly re-extracted vigorously with ethyl acetate, and the combined organic phases were then dried over magnesium sulfate, filtered and concentrated. Final purification by column chromatography of the resulting crude product (gradient ethyl acetate/heptane) gave 3-chloro-4-methyl-1-(1-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrrole-2,5-dione in the form of a colorless solid (110 mg, 11% of theory). 1H-NMR (400 MHz, d6-DMSO delta, ppm) 8.13 (s, 1H), 3.80 (s, 3H), 2.09 (s, 3H).

By the way, if you are interested in learning more fun chemistry with your kids, get your hands into one chemistry set now, and start enjoying the best part of chemistry: experiments about 1-Methyl-1H-1,2,4-triazol-3-amine.

Reference:
Patent; Bayer CropScience Aktiengesellschaft; Bayer Aktiengesellschaft; FRACKENPOHL, Jens; HELMKE, Hendrik; FRANKE, Jana; REINGRUBER, Anna Maria; MACHETTIRA, Anu Bheemaiah; GATZWEILER, Elmar; ROSINGER, Christopher Hugh; SCHMUTZLER, Dirk; DIETRICH, Hansjoerg; LUEMMEN, Peter; (96 pag.)US2019/330192; (2019); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics