Category: 291756-76-8

A catalyst don’t appear in the overall stoichiometry of the reaction it catalyzes, Computed Properties of 306.6166, but it must appear in at least one of the elementary reactions in the mechanism for the catalyzed reaction. 291756-76-8, Name is (Z)-N-[2-Chloro-3-(dimethylamino)allylidene]-N-methylmethanaminium Hexafluorophosphate, molecular formula is C7H14ClF6N2P. In an article, author is Yadav, Krishna Kant,once mentioned of 291756-76-8.

Diethyl (2-Amino-3-Cyano-4H-Chromen-4-yl)Phosphonate and Its Halogenated Derivatives as Effective Drug: A Theoretical and an Experimental Spectroscopic Study

Theoretical calculations of geometrical structure and vibrational wavenumbers, nuclear magnetic behavior and natural bond orbital(NBO) analysis were carried out using density functional (DFT/B3LYP) method with 6-311++G(d, p) as basis set for diethyl (2-amino-3-cyano-4H-chromen-4-yl)phosphonate (DACHP;1), diethyl (2-amino-6-chloro-3-cyano-4H-chromen-4-yl)phosphonate (CDACHP;2) and diethyl (2-amino-6-bromo-3-cyano-4H-chromen-4-yl)phosphonate (BDACHP;3). The global reactivity descriptors are also calculated and compared at same level of theory for all the three molecules. The FT-IR spectra of the compounds under study were measured in their condensed state. The calculated scaled vibrational wavenumbers were found in good agreement with the experimental wavenumbers. Hyper-conjugative interactions and charge delocalization within the molecules were studied using NBO analysis to explore their stability.H-1 NMR and(13)C NMR chemical shifts of the title molecules were calculated by the GIAO method and compared with experimental results, and good correlations were accomplished. Molecular docking studies were performed for all the three molecules (1-3)to elicit their possible potential as an effective drug.

If you¡¯re interested in learning more about 291756-76-8. The above is the message from the blog manager. Computed Properties of 306.6166.

Reference:
Pyrroline – Wikipedia,
,1-Pyrroline | C4H7N – PubChem

A catalyst don’t appear in the overall stoichiometry of the reaction it catalyzes, Computed Properties of 306.6166, but it must appear in at least one of the elementary reactions in the mechanism for the catalyzed reaction. 291756-76-8, Name is (Z)-N-[2-Chloro-3-(dimethylamino)allylidene]-N-methylmethanaminium Hexafluorophosphate, molecular formula is C7H14ClF6N2P. In an article, author is Yadav, Krishna Kant,once mentioned of 291756-76-8.

Diethyl (2-Amino-3-Cyano-4H-Chromen-4-yl)Phosphonate and Its Halogenated Derivatives as Effective Drug: A Theoretical and an Experimental Spectroscopic Study

Theoretical calculations of geometrical structure and vibrational wavenumbers, nuclear magnetic behavior and natural bond orbital(NBO) analysis were carried out using density functional (DFT/B3LYP) method with 6-311++G(d, p) as basis set for diethyl (2-amino-3-cyano-4H-chromen-4-yl)phosphonate (DACHP;1), diethyl (2-amino-6-chloro-3-cyano-4H-chromen-4-yl)phosphonate (CDACHP;2) and diethyl (2-amino-6-bromo-3-cyano-4H-chromen-4-yl)phosphonate (BDACHP;3). The global reactivity descriptors are also calculated and compared at same level of theory for all the three molecules. The FT-IR spectra of the compounds under study were measured in their condensed state. The calculated scaled vibrational wavenumbers were found in good agreement with the experimental wavenumbers. Hyper-conjugative interactions and charge delocalization within the molecules were studied using NBO analysis to explore their stability.H-1 NMR and(13)C NMR chemical shifts of the title molecules were calculated by the GIAO method and compared with experimental results, and good correlations were accomplished. Molecular docking studies were performed for all the three molecules (1-3)to elicit their possible potential as an effective drug.

If you¡¯re interested in learning more about 291756-76-8. The above is the message from the blog manager. Computed Properties of 306.6166.

Reference:
Pyrroline – Wikipedia,
,1-Pyrroline | C4H7N – PubChem

Chemistry, like all the natural sciences, Name: (Z)-N-[2-Chloro-3-(dimethylamino)allylidene]-N-methylmethanaminium Hexafluorophosphate, begins with the direct observation of nature¡ª in this case, of matter.291756-76-8, Name is (Z)-N-[2-Chloro-3-(dimethylamino)allylidene]-N-methylmethanaminium Hexafluorophosphate, SMILES is C[N+](C)=C/C(Cl)=C/N(C)C.F[P-](F)(F)(F)(F)F, belongs to pyrrolines compound. In a document, author is Rosas, N, introduce the new discover.

Catalytic hydrocyanation of alpha-ketoalkynes by Ni(CN)(2)/CO/KCN system in alkaline aqueous media: Identification of the active species

5-Hydroxy-3-pyrrolin-2-ones are regioselectively synthesized in a good yield under very mild conditions by tetracyanonickelate (0) ion catalyzed hydrocyanation of alpha-ketoalkynes, in the absence of hydrogen cyanide. The catalyst is prepared in situ in a basic aqueous medium by reduction of Ni(CN)(2) with CO in the excess of KCN. From the LR spectroscopy studies and by evaluation of catalytic activity of some cyanonickelates it is proposed that [Ni(CN)(4)](-4) anion is the active species in the process. A possible mechanism is suggested for the conversion of nickel cyanide to [Ni(CN)(4)](-4). The effect of the reaction variables, e.g.: reaction time, temperature, absorption of carbon monoxide, the concentration of potassium cyanide, water, substrate, and sodium hydroxide were also examined. (C) 2000 Elsevier Science B.V. All rights reserved.

Note that a catalyst decreases the activation energy for both the forward and the reverse reactions and hence accelerates both the forward and the reverse reactions. you can also check out more blogs about 291756-76-8. Name: (Z)-N-[2-Chloro-3-(dimethylamino)allylidene]-N-methylmethanaminium Hexafluorophosphate.

Reference:
Pyrroline – Wikipedia,
,1-Pyrroline | C4H7N – PubChem