Category: 52096-24-9

El Hammadi, A.’s team published research in Journal of Molecular Structure: THEOCHEM in 2000 | CAS: 52096-24-9

1-Butyl-1H-pyrazole(cas: 52096-24-9) belongs to pyrazoles. Pyrazoles and their related multiring analogs are common elements of a wide variety of bioactive compounds. These ring structures are rare in nature. A consequence of this is that they have previously been thought to be poor moieties to include in potential new drugs. Reference of 1-Butyl-1H-pyrazole

El Hammadi, A.; El Mouhtadi, M. published an article on February 1 ,2000. The article was titled 《The theoretical determination of heats of formation, proton affinities and gas basicities of N and C-substituted pyrazoles: analysis of the substituent effects on the gas-phase basicity》, and you may find the article in Journal of Molecular Structure: THEOCHEM.Reference of 1-Butyl-1H-pyrazole The information in the text is summarized as follows:

The MP2(FC)/6-31G* energies calculation, with complete optimization geometries at RHF/6-31G* level, was carried out on the neutral and protonated forms of C and N-mono-substituted pyrazoles (28 R-C(n)Pz and 12 R’-NPz with n = 3, 4 and 5; R = R’=H, Me, CHO, CN, NH2, NO, NO2, OH, F and Cl, and R’=Et, Pr and Ph) and some related compounds (Pyridine, 2-methylpyridine, 3-methylpyridine, Pyrrole and N-methylpyrrole). The heats of formation (using isodesmic reaction), the proton affinities (PA) and the gas basicities (GB) were determined for pyrazole derivatives The results are consistent with the exptl. evidence and provide a better understanding of the structures and energies for mono-substituted pyrazoles. Also, the RHF/6-31G* geometrical parameters are compared with those obtained by AM1 method, the agreement is satisfying. Linear relations are found between AM1 and MP2(FC)/6-31G*//6-31G* for heats of formation and for PAs of R-C(n)Pz and R’-NPz. Many pyrazole derivatives fit correlation well. Also, the structures and heats of formation for sizeable N-mono-substituted pyrazoles (17 compounds), which are interesting in chem. area, was also optimized by AM1, their PAs are scaled with a reasonable precision. Substituent electronic effects (SE) was analyzed in terms of polarizability, field, and resonance contributions using the Taft-Topsom model. The SE on N atom N(1) differs notably from those on C atoms C(3), C(4) and C(5). The origin of this difference was discussed yet. The results came from multiple reactions, including the reaction of 1-Butyl-1H-pyrazole(cas: 52096-24-9Reference of 1-Butyl-1H-pyrazole)

1-Butyl-1H-pyrazole(cas: 52096-24-9) belongs to pyrazoles. Pyrazoles and their related multiring analogs are common elements of a wide variety of bioactive compounds. These ring structures are rare in nature. A consequence of this is that they have previously been thought to be poor moieties to include in potential new drugs. Reference of 1-Butyl-1H-pyrazole

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

Perez, Jorge D.’s team published research in Bulletin de la Societe Chimique de France in 1986 | CAS: 52096-24-9

1-Butyl-1H-pyrazole(cas: 52096-24-9) belongs to pyrazoles. Pyrazoles and their related multiring analogs are common elements of a wide variety of bioactive compounds. These ring structures are rare in nature. A consequence of this is that they have previously been thought to be poor moieties to include in potential new drugs. Safety of 1-Butyl-1H-pyrazole

Perez, Jorge D.; Yranzo, Gloria I.; Phagouape, Leonardo M. published an article on February 28 ,1986. The article was titled 《Influence of N-substitution in the FVT (flash vacuum thermolysis) of pyrazoles》, and you may find the article in Bulletin de la Societe Chimique de France.Safety of 1-Butyl-1H-pyrazole The information in the text is summarized as follows:

Flash vacuum thermolysis of 1-ethyl-, 3,5-dimethyl-1-ethyl- (I), 1-butyl-, 1-tert-butyl-, 3,5-dimethyl-1-phenyl- and 1-phenylpyrazole was studied. In the N-alkyl derivatives, pyrazole elimination and olefin formation were found. In contrast, Ph derivatives afforded isomerization and nitrogen extrusion. Kinetic parameters for compound I are described and a general mechanism including the N-H derivatives is discussed. In the part of experimental materials, we found many familiar compounds, such as 1-Butyl-1H-pyrazole(cas: 52096-24-9Safety of 1-Butyl-1H-pyrazole)

1-Butyl-1H-pyrazole(cas: 52096-24-9) belongs to pyrazoles. Pyrazoles and their related multiring analogs are common elements of a wide variety of bioactive compounds. These ring structures are rare in nature. A consequence of this is that they have previously been thought to be poor moieties to include in potential new drugs. Safety of 1-Butyl-1H-pyrazole

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

Zhuravleva, I. L.’s team published research in Russian Chemical Bulletin (Translation of Izvestiya Akademii Nauk, Seriya Khimicheskaya) in 1999 | CAS: 52096-24-9

1-Butyl-1H-pyrazole(cas: 52096-24-9) belongs to pyrazoles. Pyrazoles and their related multiring analogs are common elements of a wide variety of bioactive compounds. These ring structures are rare in nature. A consequence of this is that they have previously been thought to be poor moieties to include in potential new drugs. Application In Synthesis of 1-Butyl-1H-pyrazole

Application In Synthesis of 1-Butyl-1H-pyrazoleOn October 31, 1999 ,《Structural regularities governing sorption and gas chromatographic retention of aromatic nitrogen-containing heterocyclic compounds》 appeared in Russian Chemical Bulletin (Translation of Izvestiya Akademii Nauk, Seriya Khimicheskaya). The author of the article were Zhuravleva, I. L.; Kuz’menko, T. E.. The article conveys some information:

The regularities governing differences in the gas-chromatog. retention indexes of aromatic N-containing heterocyclic compounds were studied during gas-chromatog. anal. on a nonpolar capillary column. The retention indexes of pyrrole, pyrazole, imidazole, 1,2,4-triazole, oxazole, thiazole, isoxazole, pyridine, pyridazine, pyrimidine, pyrazine, and s-triazine and their alkyl derivatives depend on the number, nature, and arrangement of heteroatoms and alkyl groups in the cycles. The majority of homologous series of n-alkyl-substituted azoles and azines and n-alkylbenzenes is characterized by anomalously high differences between the retention indexes of Et and Me homologs. A scheme of calculating retention indexes of aromatic heterocyclic compounds from increments of heteroatoms was proposed. In the part of experimental materials, we found many familiar compounds, such as 1-Butyl-1H-pyrazole(cas: 52096-24-9Application In Synthesis of 1-Butyl-1H-pyrazole)

1-Butyl-1H-pyrazole(cas: 52096-24-9) belongs to pyrazoles. Pyrazoles and their related multiring analogs are common elements of a wide variety of bioactive compounds. These ring structures are rare in nature. A consequence of this is that they have previously been thought to be poor moieties to include in potential new drugs. Application In Synthesis of 1-Butyl-1H-pyrazole

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

Continuously updated synthesis method about C7H12N2

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Adding a certain compound to certain chemical reactions, such as: 52096-24-9, name is 1-Butyl-1H-pyrazole, 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 52096-24-9, Product Details of 52096-24-9

Example 164 Preparation of 1-butyl-alpha-phenyl-1H-pyrazole-5-methanol A solution of 12.4 g of 1-butylpyrazole in 100 ml of absolute ether is placed in a three-necked flask provided with a stirrer, a condenser, a dropping adapter and a thermometer, it is cooled with ice and 6.1 g of a 1.6M solution of butyllithium in hexane are added slowly. The mixture is stirred for 30 minutes and a solution of 14.5 g of p-chlorobenzaldehyde in 30 ml of absolute ether is added slowly. After the reaction, stirring is continued until the mixture reaches room temperature, after which it is hydrolyzed with 100 ml of water. Extraction is carried out with benzene, the benzene phase is washed and dried over sodium sulfate and the solvent is removed in vacuo. This gives 18.9 g (82%) of an oil which can be crystallized from a methanol/water mixture to give crystals melting at 46-7 C., the product being 1-butyl-alpha-phenyl -1H-pyrazole-5-methanol.

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.

Reference:
Patent; Laboratorios del Dr. Esteve, S.A.; US5017596; (1991); A;,
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Simple exploration of 52096-24-9

Statistics shows that 1-Butyl-1H-pyrazole is playing an increasingly important role. we look forward to future research findings about 52096-24-9.

Synthetic Route of 52096-24-9, These common heterocyclic compound, 52096-24-9, name is 1-Butyl-1H-pyrazole, 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.

3.102 g (18 mmol) of hydrobromic acid was gradually added dropwise to 1.86 g (15 mmol) of 1-butylpyrazole,The reaction was stirred at 40 ~ 50 for 15 ~ 25h to ensure that all the substrates reacted completely, then cyclohexane was used as a water-carrying agent to remove the moisture therein,Further washing with ethyl acetate gave 1-butylpyrazole hydrobromide as a light yellow liquid (yield> 90%).

Statistics shows that 1-Butyl-1H-pyrazole is playing an increasingly important role. we look forward to future research findings about 52096-24-9.

Reference:
Patent; Henan University; Ren Tiegang; Wang Tengfei; Ma Yuan; Zhang Jingshun; Zhang Jinglai; Wang Li; (9 pag.)CN107501181; (2017); A;,
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics