ChemInform Abstract: ELECTROPHILIC REACTIONS OF CYANO GROUP PART 10, REACTIONS OF ORGANIC THIOCYANATES WITH ALDEHYDES

A number of new solvates and adducts containing bisphenyldimethylaminophosphine oxide is reported. The solvates have the general formula M[(C6H5)2P(O)N(CH3)2]42+(anion-)2, in which M = Mg, Ca, Mn, Fe, Co, Ni, Cu, Zn and Cd, and the anions are ClO4- and BF4-. The adducts have the general formula M[(C6H5)2P(O)N(CH3)2]2Cl2, where M stands for the same series of metals.The compounds are characterized and identified by chemical analyses and physical measurements.Ligand-field and vibrational spectra have been investigated; values for the ligand-field parameters are reported. It is concluded that coordination takes place via the oxygen atom of the ligand.X-ray powder patterns were used in combination with ligand-field spectra to deduce the coordination around the metal ions.The interesting behaviour of the nickel (II) chloride adduct upon heating is discussed and it is shown that both a square pyramidal and a tetrahedral modification exists.

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The preparation of 2-Fluoro-5-nitrobenzonitrile and the proton magnetic resonance spectra of some compounds containing the N-(2-Cyano-4-nitrophenyl) group

Australian Journal of Chemistry ◽

10.1071/ch9671663 ◽

1967 ◽

Vol 20 (8) ◽

pp. 1663 ◽

Cited By ~ 5

Author(s):

JFK Wilshire

Keyword(s):

Amino Acids ◽

Magnetic Resonance ◽

Nitro Group ◽

Proton Magnetic Resonance ◽

Cyano Group ◽

Aromatic Nucleus ◽

Heteroaromatic Compounds ◽

Magnetic Resonance Spectra

2-Fluoro-5-nitrobenzonitrile, an analogue of 1-fluoro-2,4- dinitrobenzene, in which the 2-nitro group has been replaced by a cyano group, has been prepared and made to react with several amines, amino acids, and NH-heteroaromatic compounds. The proton magnetic resonance spectra of some of the resultant N-(2-cyano-4-nitrophenyl) derivatives were compared with the spectra of the corresponding N-(2,4- dinitrophenyl) derivatives and furnish further evidence that the ortho nitro group of the latter derivatives is rotated out of the plane of the aromatic nucleus.

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ChemInform Abstract: SUBSTITUENT EFFECT OF THE GUANIDINO AND OF THE GUANIDINIUM GROUP, PART I. THE EFFECT ON FLUORINE NMR SPECTRA OF FLUOROBENZENES AND ON THE AROMATIC SUBSTITUTION

Chemischer Informationsdienst ◽

10.1002/chin.197809046 ◽

1978 ◽

Vol 9 (9) ◽

Author(s):

A. HEESING ◽

W. SCHMALDT

Keyword(s):

Substituent Effect ◽

Nmr Spectra ◽

Aromatic Substitution ◽

Fluorine Nmr ◽

Guanidinium Group ◽

Group Part

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Chalcogen Bond versus Weak Hydrogen Bond: Changing Contributions in Determining the Crystal Packing of [1,2,5]-Chalcogenadiazole-Fused Tetracyanonaphthoquinodimethanes

Organic Materials ◽

10.1055/s-0041-1725046 ◽

2021 ◽

Vol 03 (02) ◽

pp. 090-096

Author(s):

Yusuke Ishigaki ◽

Kota Asai ◽

Takuya Shimajiri ◽

Tomoyuki Akutagawa ◽

Takanori Fukushima ◽

...

Keyword(s):

Hydrogen Bond ◽

Density Functional ◽

Molecular Design ◽

Crystal Packing ◽

Cyano Group ◽

Density Functional Theory Calculations ◽

Weak Hydrogen Bond ◽

Functional Theory ◽

Chalcogen Bond ◽

Thiadiazole Ring

The crystal structures of a series of tetracyanonaphthoquinodimethanes fused with a selenadiazole or thiadiazole ring revealed that their molecular packing is determined mainly by two intermolecular interactions: chalcogen bond (ChB) and weak hydrogen bond (WHB). ChB between Se and a cyano group dictates the packing of selenadiazole derivatives, whereas the S-based ChB is much weaker and competes with WHB in thiadiazole analogues. This difference can be explained by different electrostatic potentials as revealed by density functional theory calculations. A proper molecular design that weakens WHB can change the contribution of ChB in determining the crystal packing of thiadiazole derivatives.

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Carbenoids with neighboring heteroatoms. III. Electrophilic reactions of two .alpha.-halocyclopropyllithium compounds

The Journal of Organic Chemistry ◽

10.1021/jo00980a019 ◽

1972 ◽

Vol 37 (15) ◽

pp. 2436-2443 ◽

Cited By ~ 41

Author(s):

K. Grant. Taylor ◽

W. Edward. Hobbs ◽

Melvin S. Clark ◽

James. Chaney

Keyword(s):

Electrophilic Reactions

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One-Pot Synthesis of 7, 7-Dimethyl-4-Phenyl-2-Thioxo-2,3,4,6,7, 8-Hexahydro-1H-Quinazoline-5-OnesUsing Zinc Ferrite Nanocatalyst and Its Bio Evaluation

Catalysts ◽

10.3390/catal11040431 ◽

2021 ◽

Vol 11 (4) ◽

pp. 431

Author(s):

Tentu Nageswara Rao ◽

Nalla Krishnarao ◽

Faheem Ahmed ◽

Suliman Yousef Alomar ◽

Fadwa Albalawi ◽

...

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Zinc Ferrite ◽

Large Scale ◽

Cyano Group ◽

Proton Nuclear Magnetic Resonance ◽

Scale Production ◽

One Pot ◽

Antibacterial And Antifungal ◽

Nuclear Magnetic

A simple and highly efficient protocol for the synthesis of derivatives 7, 7-dimethyl-4-phenyl-2-thioxo-2, 3, 4, 6, 7, 8-hexahydro-1H-quinazoline-5-one from 5, 5-dimethyl cyclohexane-1, 3-dione (4a–4h) (dimedone) has been described. The aryl aldehydes were substituted with thiourea in the presence of synthesized zinc ferrite nanocatalyst, which increased the yield under reflux through condensation, followed by cyclization to give desired products. The other advantages are that it is eco-friendly and economically affordable for large-scale production. Structural validation and characterization of all the newly synthesized compounds were evaluated by spectral analysis (mass spectrometry, proton nuclear magnetic resonance (1HNMR), and Carbon-13 nuclear magnetic resonance(13CNMR)spectroscopies. The structure of antibacterial and antifungal assays was performed with the newly synthesized compounds. The antimicrobial activity of title compounds possessing electron-withdrawing groups such as (4e–4h) (Cl, Br, and cyano group) exhibited more active potential than the electron-donating groups, C6H5,4-C6H4, 3-OC2H5-4OH-C6H3, etc., (4a–4d) containing moiety.

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