Tag: M.W=0-100

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. 1455-77-2, name is 3,5-Diamino-1,2,4-triazole, A new synthetic method of this compound is introduced below., Computed Properties of C2H5N5

General procedure: A mixture of Zn(NO3)26H2O (0.030 g, 0.1 mmol), H3bpt (0.025 g,0.1 mmol), Hdatrz (0.01 g, 0.1 mmol), DMF (3 mL) and CH3OH(1 mL) was placed in a small vial at 90 C for 72 h and then cooledto room temperature slowly. Colorless block crystals were obtainedin 42percent yield based on Zn(NO3)26H2O. Anal. calcd. forC36H29N11O12Zn3 (1004.88): C, 42.99; H, 2.89; N, 15.33percent. Found: C,42.89; H, 2.85; N, 15.42percent. IR (cm1): 3422(w), 1712(m), 1675(s),1587(m), 1509(m), 1389(m), 1378(m), 1109(w), 1025(w), 958(m),893(m), 826(m), 778(w), 690(w), 674(w), 589(w), 562(w).

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; Zhao, Haixiang; Dong, Yanli; Liu, Haiping; Journal of Molecular Structure; vol. 1105; (2016); p. 112 – 117;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Related Products of 61-82-5, These common heterocyclic compound, 61-82-5, name is 1H-1,2,4-Triazol-5-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: 20 mg of gamma-Fe2O3Ph-PMO-NaHSO4 was added to a roundbottomflask containing an aromatic aldehyde (1 mmol), 3-amino-1,2,4-triazole 2 (1.0 mmol), b-diketones (dimedone 3, 1,3-cyclohexadione 4 or ethyl acetoacetate 5) (1.0 mmol) and stirredunder solvent-free conditions at 100 C in certain times. Meanwhile,the progress of the reactionwas indicated by TLC (n-hexane:ethyl acetate; 7:3). With completing the reaction, 3ml ethanol waspoured and the magnetic nanocomposite was separated in thepresence of a magnetic stirring bar; the reaction mixture becameclear. The crude product was recrystallized from ethanol to give thepure product. The pure products were characterized by conventionalspectroscopic methods. Physical and spectral data for theselected compounds are represented below.

Statistics shows that 1H-1,2,4-Triazol-5-amine is playing an increasingly important role. we look forward to future research findings about 61-82-5.

Reference:
Article; Haghighat, Mahdieh; Shirini, Farhad; Golshekan, Mostafa; Journal of Molecular Structure; vol. 1171; (2018); p. 168 – 178;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

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. 1455-77-2, name is 3,5-Diamino-1,2,4-triazole, A new synthetic method of this compound is introduced below., SDS of cas: 1455-77-2

To a solution of compound 8 (5.71 mmol) in 10 mL of glacial acetic acid, was added diaminotriazole 10 (8.56 mmol) and heated to reflux for 4 h. The reaction mixture was cooled, and the solvent evaporated in vacuo to produce a pale-yellow solid. The solid was washed with water and recrystallized from ethanol to furnish the title compound as white crystals. (adapted from 1). Yield 72percent (0.87 g). 1H NMR (600 MHz, DMSO-d6) delta 8.53 (d, J = 4.8 Hz, 1H), 8.21 ? 8.10 (m, 2H), 7.63 ? 7.57 (m, 3H), 7.25 (d, J = 4.8 Hz, 1H), 6.45 (s, 2H). HRMS-ESI (+) m/z calculated for C11H10N5, 212.0936 [M+H]+; found: 212.0939.

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; Ribeiro, Carlos J.A.; Kankanala, Jayakanth; Xie, Jiashu; Williams, Jessica; Aihara, Hideki; Wang, Zhengqiang; Bioorganic and Medicinal Chemistry Letters; vol. 29; 2; (2019); p. 257 – 261;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Synthetic Route of 4923-01-7, 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. 4923-01-7, name is 5-Methyl-4H-1,2,4-triazol-3-amine, This compound has unique chemical properties. The synthetic route is as follows.

A mixture of methyl 3-oxo-2-(4-phenethylpiperidin-1 -yl)butanoate (1 A) (11 g, 36.3 mmol), 3- methyl-1 H-1 ,2,4-triazol-5-amine (8.89 g, 91 mmol) and 4-methylbenzenesulfonic acid (6.24g, (0229) 36.3 mmol) was heated from 140C to 160 C with vigorous stirring using a stir bar. The reaction mixture changed from solid to liquid, which then turned into a solid again. The crude mixture was dissolved in MeOH (150 ml_) and divided into three portions. Each portion was purified using a 330 grams combiflash column eluting with 0.1 to 3% MeOH in DCM to give (1 ). 1 H NMR (400 MHz, DMSO-d6) delta 12.83 (s, 1 H), 7.32 – 7.25 (m, 2H), 7.24 – 7.20 (m, 2H), 7.20 – 7.13 (m, 1 H), 3.40 (t, J = 10.4 Hz, 2H), 2.68 – 2.56 (m, 4H), 2.22 (s, 3H), 2.19 (s, 3H), 1 .75 – 1 .64 (m, 2H), 1 .61 – 1 .46 (m, 2H), 1 .30 – 1 .13 (m, 3H). Method 2: RT = 3.37 min.; M/Z (M+H) = 352.3.

The chemical industry reduces the impact on the environment during synthesis 5-Methyl-4H-1,2,4-triazol-3-amine. I believe this compound will play a more active role in future production and life.

Reference:
Patent; NOVARTIS AG; CHIANELLI, Donatella; GIBNEY, Michael; LERARIO, Isabelle K.; LIANG, Fang; LIU, Xiaodong; MOLTENI, Valentina; NAGLE, Advait Suresh; SMITH, Jeffrey M.; SUPEK, Frantisek; XIE, Yongping; YEH, Vince; (64 pag.)WO2018/229683; (2018); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

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. 41253-21-8, name is Sodium 1,2,4-triazol-1-ide, A new synthetic method of this compound is introduced below., category: Triazoles

This was made by displacing the 4-chloro phthalazine (Compound 195) with the sodium salt of 1,2, 4-triazole in DMF at55-65 C. BOCNH-P3 (L-tert-BuGly)-P2[(4R)-(4-(1, 2,4-triazo-1-yl) phthalazine-1-oxo)-S-proline]-Pl (1R,2S Vinyl Acca)-CONHSO2-Cyclopropane : the material was obtained as a white foam in 62% yield. LC/MSRt-min (MNa+) [method C]: 3.35 (774). 1H NMR (500 MHz, CD30D)8 ppm 0.97 (s, 9 H) 1. 01 (m, 2 H) 1.10 (s, 9 H) 1.16 (m,1 H) 1.37 (m, 2 H) 1.82 (m,1 H) 2.18 (d, J=8. 55 Hz,1 H) 2.32 (m,1 H) 2.69 (dd, J=13. 58,6. 87 Hz,1 H) 2.88 (br s,1 H) 4.06 (d,J=11. 60 Hz,1 H) 4.13 (s,1 H) 4.53 (m, J=9. 16 Hz,1 H) 4.61 (d,J=11. 90 Hz,1 H) 5.06 (d, J=10. 07 Hz,1 H) 5.23 (d,J=17. 40 Hz,1 H) 5.68 (m,1 H) 5.98 (s, 1 H) 7.97 (m, 2 H) 8.30 (m,J=11. 90 Hz, 2 H) 8.44 (d, J=7. 63 Hz,1 H) 9.14 (s, 1 H).

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; BRISTOL-MYERS SQUIBB COMPANY; WO2003/99274; (2003); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

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. 60166-43-0, name is 1,4-Dimethyl-1H-1,2,3-triazole, A new synthetic method of this compound is introduced below., Computed Properties of C4H7N3

(S)-3-Bromo-7-chloro-5-(phenyl(tetrahydro-2H-pyran-4-yl)methyl)-5H- pyrrolo[2,3-b:4,5-b’]dipyridine (300 mg, 0.657 mmol), l,4-dimethyl-lH-l,2,3-triazole (77 mg, 0.788 mmol), Me4NOAc (87 mg, 0.657 mmol), and PdCl2(PPh3)2 (32.3 mg, 0.046 mmol) were weighed into a vial, and 12 mL NMP was added, and the air was replaced with argon. The sealed reaction vial was heated at 100 C with stirring overnight. The next morning, LC/MS showed the mono-alky lated product as the major peak and a significant amount of the dialkylated product. It was cooled to room temperature and diluted with EtOAc and washed twice with brine. The organic layer was dried over MgS04, and concentrated to obtain a crude mixture. The crude material was purified via preparative LC/MS with the following conditions: Column: XBridge C18, 19 x 200 mm, 5-muiotaeta particles; Mobile Phase A: 5:95 ACN: water with 10-mM NEUOAc; Mobile Phase B: 95:5 ACN: water with 10-mM NH4OAc; Gradient: 20-60% B over 15 min, then a 5- min hold at 100% B; Flow: 20 mL/min. Fractions containing the title compound were combined and dried via centrifugal evaporation. Estimated purity by LC/MS analysis was 99%. An analytical LC/MS injection was used to determine the final purity. Conditions: Column: Waters BEH CI 8, 2.0 x 50 mm, 1.7-muiotaeta particles; Mobile Phase A: 5:95 ACN:water with 10 mM NH4OAc; Mobile Phase B: 95:5 ACN:water with 10 mM NH4OAc; Temperature: 50 C; Gradient: 0%B, 0-100% B over 3 min, then a 0.5-min hold at 100% B; Flow: 1 mL/min; Detection: UV at 220 nm; RT = 1.51 min, LC/MS (M+H) = 534.5. NMR (500MHz, DMSO-c e) delta 8.82 (d, J=8.1 Hz, 1H), 8.67 (s, 1H), 8.57 (br. s., 1H), 7.77 – 7.71 (m, 3H), 7.35 – 7.29 (m, 2H), 7.27 – 7.21 (m, 1H), 6.06 (br. s., 1H), 4.38 (s, 3H), 4.03 (s, 3H), 3.90 (s, 1H), 3.74 (d, J=10.6 Hz, 1H), 3.62 (br. s., 1H), 3.40 (s, 1H), 3.24 (t, J=11.2 Hz, 1H), 2.54 (s, 3H), 2.31 (s, 3H), 1.62 (br. s., 1H), 1.51 – 1.39 (m, 1H), 1.35 – 1.21 (m, 1H), 1.14 (d, J=12.5 Hz, 1H); LC/MS (M+H) = 534.3 [Column: Waters Aquity BEH CI 8 2.1 X 50 mm 1.7u; Mobile Phase A: water with 0.05% TFA; Mobile Phase B: ACN with 0.05% TFA; Temperature: 40 C; Gradient: 2- 98% B over 1.5 min; Flow: 0.8 mL/min].

The synthetic route of 60166-43-0 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; BRISTOL-MYERS SQUIBB COMPANY; NORRIS, Derek J.; VACCARO, Wayne; DEBENEDETTO, Mikkel V.; DEGNAN, Andrew P.; DELUCCA, George V.; DESKUS, Jeffrey A.; HAN, Wen-Ching; KUMI, Godwin Kwame; SCHMITZ, William D.; STARRETT, John E., JR.; HILL, Matthew D.; HUANG, Hong; (563 pag.)WO2016/183118; (2016); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Electric Literature of 288-88-0, 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.

Intermediate 1 3,5-Dibromo-lH-l,2,4-triazole lH-l,2,4-Triazole (3.9 g, 56 mmol) was mixed in water (50 mL) and DCM (15 mL) at 0C. A solution of dibromine (6.1 mL, 119 mmol) in DCM (15 mL) and a solution of sodium hydroxide (6.78 g, 169 mmol) in water (20 mL) were added dropwise simultaneously while keeping the reaction temperature below 20C. The mixture was stirred at ambient temperature over night. Hydrochloric acid (cone, 2.0 mL, 66 mmol) was added. The solid was isolated by filtration, washed with water and dried under vacuum to yield the title compound as a solid (8.3 g, 65%). MS (ESI ) m/z 224 [M-H]”.

Statistics shows that 1H-1,2,4-Triazole is playing an increasingly important role. we look forward to future research findings about 288-88-0.

Reference:
Patent; ACTURUM LIFE SCIENCE AB; BESIDSKI, Yevgeni; YNGVE, Ulrika; PAULSEN, Kim; LINDE, Christian; MALMBORG, Jonas; WO2014/195322; (2014); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

4923-01-7, name is 5-Methyl-4H-1,2,4-triazol-3-amine, belongs to triazoles compound, is considered to be a conventional heterocyclic compound, which is widely used in drug synthesis. The chemical synthesis route is as follows. HPLC of Formula: C3H6N4

To a solution of 3-methyl- lH-l ,2,4-triazol-5-amine (150 mg, 1.52 mmol) in diphenyl ether (2 ml) was added ethyl 3-(l -acetyl- lH-indazol-5-yl)-3- oxopropanoate (710 mg, 2.59 mmol), TsOH (1 1 mg, 0.06 mmol), and the mixture was stirred for 1 h at 170C. The resulting solution was diluted with petroleum ether (8 ml), and solids were collected by filtration and washed with ethyl ether (3 ml) to afford 5-(l -acetyl- lH-indazol-5-yl)-2-methyl-[l ,2,4]triazolo[l ,5-fl]pyrimidin- 7(4H)-one as a crude brown solid(100 mg, crude). LC/MS (ES, m/z): [M+H]+ 309.0

The synthetic route of 4923-01-7 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; BIOENERGENIX; MCCALL, John; KELLY, Robert, C.; ROMERO, Donna, L; WO2014/66743; (2014); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Application of 41253-21-8,Some common heterocyclic compound, 41253-21-8, name is Sodium 1,2,4-triazol-1-ide, molecular formula is C2H2N3Na, 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.

Intermediate 46′ 2-(lH-l,2,4-triazol-l-yl)benzonitrile: A suspension of 2-fluorobenzylnitrile(3.0 g, 25 mmol) and 1,2,4-triazole sodium complex (2.4 g, 27 mmol) were stirred in THF (7 mL) and DMF (14 mL) at 95 C for 18 h. After cooling and concentrating, the product was crystallized from hot CH2Cl2/hexane (1:1) to give the title compound as a white solid (4.25 g, 100% yield). 1H-NMR (300 MHz, CDCl3) delta: 8.74 (IH, s), 8.16 (IH, s), 7.82 (IH, dd, J= 4.9,1.3 Hz), 7.77-7.25 (2H, m), 7.57-7.51 (IH, m). LCMS [M+H]+ calcd for C9H7N4: 171.06; found: 171.12.

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route Sodium 1,2,4-triazol-1-ide, its application will become more common.

Reference:
Patent; BRISTOL-MYERS SQUIBB COMPANY; WO2007/58646; (2007); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

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. 288-88-0, name is 1H-1,2,4-Triazole, This compound has unique chemical properties. The synthetic route is as follows., SDS of cas: 288-88-0

To a 500 ml three-necked flask, 21.0 g of 1,2,4-triazole was added.And adding 150.0 g of diethylene glycol monomethyl ether and 7.0 g of potassium hydroxide,Heating in an oil bath, controlling the internal temperature at 100-110 C;then,60.0 g of the reaction starting material A was slowly added dropwise, and the dropping time was 1 h.After the completion of the dropwise addition, the mixture was stirred at 100 to 120 C for 10 hours, and the reaction of the starting material A was monitored by TLC.Then, the reaction solution was allowed to stand to cool to room temperature, incubated in an ice water bath for 1 h, suction filtration, and the filtered mother liquor was collected and applied, and the filter cake was taken.Rinse with 50 ml of a mixed solvent of n-hexane and petroleum ether.Drying in vacuo, the product quality of tebuconazole is 68.6g.The purity was 98.2%, and the total yield was 92.1%.The tebuconazole product characterization data is the same as in Example 1.

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 288-88-0.

Reference:
Patent; Shanghai Sheng Nong Biochemical Goods Co., Ltd.; Ye Zhenjun; Wang Tao; Xu Haiyan; Bi Qiang; Han Haiping; (6 pag.)CN109705048; (2019); A;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics