Category: pyrazoles-derivatives

Chemistry is the experimental science by definition. We want to make observations to prove hypothesis. For this purpose, we perform experiments in the lab. , Application In Synthesis of N2,N2-Dimethyl-1,3,5-triazine-2,4,6-triamine, 1985-46-2, Name is N2,N2-Dimethyl-1,3,5-triazine-2,4,6-triamine, molecular formula is C5H10N6, belongs to pyrazoles-derivatives compound. In a document, author is Andleeb, Hina, introduce the new discover.

Synthesis and computational studies of highly selective inhibitors of human recombinant tissue non-specific alkaline phosphatase (h-TNAP): A therapeutic target against vascular calcification

In this study, we have discovered small druglike molecules as selective inhibitors of human tissue-nonspecific alkaline phosphatase (h-TNAP), an enzyme critical for the regulation of extracellular matrix calcification. The upregulation of h-TNAP is associated with various pathologies particularly the vascular calcification (VC). Selective inhibition of h-TNAP over h-NPP1 may serve as a useful therapeutic strategy against vascular calci-fication. A series of novel triazolyl pyrazole derivatives (10a-y) in which thiol bearing triazole moiety as the zinc binding functional group was introduced to a pyrazole based pharmacophore was synthesized and evaluated as potent and selective inhibitors of h-TNAP over h-NPP1. The biological screening against h-TNAP, h-IAP, h-NPP1 and h-NPP3 showed that many of the synthesized compounds are selective inhibitors of TNAP. Particularly, the compounds 10a-h, 10j, 10m-q, 10u, 10w and 10x displayed high potency and complete selectivity towards h-TNAP over h-NPP1. Compound 10q emerged as a highly potent inhibitor (IC50 = 0.16 mu M or 160 nM) against h-TNAP with 127-fold increased inhibition compared to levamisole. On the other hand, compound 10e was found to be most selective inhibitor against the tested APs and NPPs (IC50 = 1.59 +/- 0.36 mu M). Binding sites archi-tecture analysis, molecular-docking and molecular dynamics simulations (MDS), revealed the basis for h-TNAP and h-IAP ligand selectivity as well as selectivity towards h-TNAP over h-NPP1. These newly discovered in-hibitors are believed to represent valuable lead structures to further streamline the generation of candidate compounds to target VC.

A reaction mechanism is the microscopic path by which reactants are transformed into products. Each step is an elementary reaction. In my other articles, you can also check out more blogs about 1985-46-2. Application In Synthesis of N2,N2-Dimethyl-1,3,5-triazine-2,4,6-triamine.

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics

Synthetic Route of 645-05-6, Children learn through play, and they learn more than adults might expect. Science experiments are a great way to spark their curiosity, 645-05-6, Name is Altretamine, SMILES is CN(C)C1=NC(N(C)C)=NC(N(C)C)=N1, belongs to pyrazoles-derivatives compound. In a article, author is Jiao, Jian, introduce new discover of the category.

Synthesis, Bioactivity Evaluation, 3D-QSAR, and Molecular Docking of Novel Pyrazole-4-carbohydrazides as Potential Fungicides Targeting Succinate Dehydrogenase

Main observation and conclusion To screen novel antifungal agents targeting the succinate dehydrogenase (SDH), a series of pyrazole-4-carbohydrazides were rationally designed, synthesized, and characterized under the guidance of the structures of succinate dehydrogenase inhibitors (SDHIs). Bioassay results in vitro indicated that most of the target compounds exhibited excellent activity against Rhizoctonia solani (R. solani), Fusarium graminearum (F. graminearum), Botrytis cinerea (B. cinerea) and Colletotrichum capsica (C. cinerea). Compounds 7d, 7l, 7t and 7x were identified as the most promoting candidates, and their anti-F. graminearum EC50 values were as low as 0.56, 0.47, 0.46 and 0.49 mu g/mL, respectively, presenting the similar antifungal activity as that of the commonly used fungicide carbendazim (0.43 mu g/mL). The 3D-QSAR models were built for a systematic structure-activity relationship profile to explore more potent pyrazole-4-carbohydrazides as novel fungicides. Molecular docking of 7d, 7l and 7r with SDH was performed to reveal the binding modes in active pocket and analyze the interactions between the molecules and the SDH protein. [GRAPHICS] .

Synthetic Route of 645-05-6, Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. I hope my blog about 645-05-6 is helpful to your research.

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – 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. 105486-72-4, name is Ethyl 5-bromo-1-methyl-1H-pyrazole-4-carboxylate, A new synthetic method of this compound is introduced below., Recommanded Product: Ethyl 5-bromo-1-methyl-1H-pyrazole-4-carboxylate

Phenol (30.29 g; 321.80 mmol) was dissolved in DMA and K2CO3 (88.95 g; 643.60 mmol) was added portion wise. It was stirred for 10 minutes, then 5-Bromo-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester (50.0 g; 214.53 mmol) was dropped to the reaction mixture and heated up to 140 C. for 16 hours. A 10% citric acid solution was added and extracted with DCM. The organic layer was washed with sodium bicarbonate and brine, then dried and purified through column chromatography. Yield: 43% (22.5 g; 91.37 mmol) HPLC-MS: (M+H)+=247; tRet=3.50 min; method LCMS FA-8

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 of 866837-96-9,Some common heterocyclic compound, 866837-96-9, name is Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate, molecular formula is C12H13N3O2, 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.

5-Amino-1-phenyl-lH-pyrazole-3-carboxylic acid ethyl ester (0.63 g, 2.72 mmoles) was dissolved in 10 ml of anhydrous tetrahydrofuran. Then, 442 mg of benzoyl thioisocyante (2.72 mmoles) was added. The mixture was heated at 90C for 2 hours and the reaction was monitored by LCMS. After the completion of reaction, the THF was removed in vacuo to give 1.02 g of desired product (yield: 96%), which was dried under high vacuum. The product was used for the next step without further purification

The synthetic route of 866837-96-9 has been constantly updated, and we look forward to future research findings.

Adding a certain compound to certain chemical reactions, such as: 4149-06-8, name is 3-Amino-1-phenyl-1H-pyrazol-5(4H)-one, belongs to pyrazoles-derivatives 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 4149-06-8, Recommanded Product: 4149-06-8

A solution of 3-amino-1-phenyl-2-pyrazolin-5-one 1 (0.35 g, 2 mmol), dimedone 2 (0.28 g, 2 mmol), aldehyde 3 (0.28 mg, 2 mmol) and Cell-LA-TEA+/Fe3O4 nanocatalyst (0.03 g, 0.09 mol%) in H2O/EtOH (3:2) was subjected to ultrasonic irradiation (ultrasonic bath, room temperature). The progress of the reaction was controlled by TLC (hexane/ethyl acetate, 2:3). After reaction completion, the nanocatalyst was separated magnetically from the reaction mixture and used for subsequent cycles after washing with ethanol. By cooling the reaction solution, the solid product was collected, separated and recrystallized from methanol to get the pure product.

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, 3-Amino-1-phenyl-1H-pyrazol-5(4H)-one, other downstream synthetic routes, hurry up and to see.

Adding a certain compound to certain chemical reactions, such as: 30169-25-6, name is 3,6-Bis(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazine, belongs to pyrazoles-derivatives 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 30169-25-6, Formula: C12H14N8

1,2,4,5-tetrazine-3,6-diamine (56 mg, 0.5 mmol) was added to 3,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazine (270 mg, 1 mmol) and K2CO3 (138 mg, 1 mmol) with 10 mL acetonitrile, and refluxed (80C) for 20 hours. Reaction was monitored with TLC using a 3:1 CCl4:CH3CN solvent system. The resulting dark, viscous solution was cooled with 10 mL ice water followed by 5% HCl added dropwise until the pH was about 1. The red precipitate was filtered and washed with water to yield 250 mg (109% yield, due to water in the sample).

If you are interested in these compounds, you can also browse my other articles.Thank you for taking the time to read this article. I hope you enjoyed it.

Related Products of 67-51-6,Some common heterocyclic compound, 67-51-6, name is 3,5-Dimethyl-1H-pyrazole, molecular formula is C5H8N2, 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 1 1-(4-Methoxy-phenyl)-3,5-dimethyl-1-H-pyrazole: The title compound was prepared from 4-methoxyphenylboronic acid (1.58 g, 10.4 mmol), 3,5-dimethyl-1H-pyrazoles (0.5 g, 5.2 mmol) using the general procedure A with a yield of 90% (0.9 g,); MS (APCI) m/z: 203 (M+1, 100).

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route 3,5-Dimethyl-1H-pyrazole, 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. 1260243-04-6, name is Ethyl 5-amino-1H-pyrazole-4-carboxylate, A new synthetic method of this compound is introduced below., category: pyrazoles-derivatives

EXAMPLE 53 4,5,6,7-Tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid, ethyl ester A stirred mixture of 10.88 g of 5-amino-4-pyrazolecarboxylic acid, ethyl ester, 11.51 g of malonaldehyde bis(dimethyl acetal) and 100 ml of glacial acetic acid was heated at reflux for 16 hours, then worked up as described in Example 50 to give 7.8 g of pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, ethyl ester.

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.

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. 1146629-77-7, name is (4-(1H-Pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate, This compound has unique chemical properties. The synthetic route is as follows., SDS of cas: 1146629-77-7

4-(1-(2-Cyano-1-cyclopentylvinyl)-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate (9).; To a 500 mL round bottom flask equipped with a stir bar and the nitrogen inlet was charged 3-cyclopentylpropiolonitrile (8, 8.50 g, 0.0713 mol, 1.52 equiv), N,N-dimethylformamide (DMF, 84 mL, 1.08 mol) and [4-(1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl pivalate (5, 14.0 g, 0.0468 mol) and solid potassium carbonate (K2CO3, 0.329 g, 0.00238 mol, 0.05 equiv) at room temperature. The resulting reaction mixture was then stirred at room temperature for 60 min. When TLC and HPLC showed that the reaction was deemed complete, the reaction mixture was quenched with 20% aqueous brine (75 mL) and the resulting solution was extracted with ethyl acetate (EtOAc, 3¡Á75 mL). The combined organic extracts were washed with 20% aqueous brine (75 mL), dried over magnesium sulfate (MgSO4), filtered, and concentrated under reduced pressure. The residue was purified by flash chromatography (SiO2, 0 to 20% ethyl acetate/hexane gradient elution) to afford 4-(1-(2-cyano-1-cyclopentylvinyl)-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate (9, 16.4 g, 19.6 g theoretical, 83.7% yield) as white solids. For 9: 1H NMR (DMSO-d6, 300 MHz) delta 9.09 (s, 1H), 8.84 (s, 1H), 8.63 (s, 1H), 7.78 (d, 1H, J=3.8 Hz), 7.17 (d, 1H, J=3.8 Hz), 6.24 (s, 2H), 5.82 (s, 1H), 3.55 (m, 1H), 1.92 (m, 2H), 1.59 (br m, 6H), 1.06 (s, 9H); C23H26N6O2 (MW, 418.49), LCMS (EI) m/e 419 (M++H).

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 1146629-77-7.

Electric Literature of 120068-79-3,Some common heterocyclic compound, 120068-79-3, name is 5-Amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-1H-pyrazole-3-carbonitrile, molecular formula is C11H5Cl2F3N4, 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 compound A (5 mmol) and corresponding benzaldehyde (5 mmol) in 10 mL ethanol was refluxed for 24 hours in a reaction flask wrapped up by silver paper. Upon the reactions completed (monitored by TLC), tawny solids were obtained through suction filtration. The precipitates were washed with ethanol (5 mLx3) and recrystallized from ethanol with 50-84% yields.

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route 5-Amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-1H-pyrazole-3-carbonitrile, its application will become more common.