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Showing papers on "Substituent published in 1979"


Book
01 Jan 1979
TL;DR: In this paper, the book is the window to get in the world and you can open the world easily, and these wise words are really familiar with you, so bring home now the book enPDFd substituent constants for correlation analysis in chemistry and biology to be your sources when going to read.
Abstract: Bring home now the book enPDFd substituent constants for correlation analysis in chemistry and biology to be your sources when going to read. It can be your new collection to not only display in your racks but also be the one that can help you fining the best sources. As in common, book is the window to get in the world and you can open the world easily. These wise words are really familiar with you, isn't it?

3,169 citations


Book
10 Sep 1979
TL;DR: Agarwal et al. as discussed by the authors discuss the use of analytical derivative types and reagents for analytical derivatization of particular compounds: Hydroxyl, Sulfhydryl, and Epoxy Compounds.
Abstract: Introduction: Uses of Analytical Derivatization. Derivative Types and Reagents. General Considerations in Analytical Derivatization. Apparatus for Analytical Derivatization. Derivatization of Particular Compound Types: Hydroxyl, Sulfhydryl, and Epoxy Compounds. Amino Compounds. Carboxylic Acids. Unsaturated, Cyclopropane, and Methyl Branched Fatty Acids: Derivatives for Determination of Substituent Location. Amino Acids and Peptides. Aldehydes and Ketones. Nitrogen Functional Groups Other than the Amino Group. Phospho and Sulfo Compounds. Derivatives for Chromatographic Separation of Optical Isomers. Fatty Lipids. Steroids, Prostaglandins and Related Compounds. Carbohydrates. Nucleotides, Their Constituents, and Related Compounds. Drugs. Appendices. Indexes.

731 citations


Journal ArticleDOI
TL;DR: In this paper, a brief analysis of the current understanding of substituent perturbations in monosubstituted benzenes as determined by substituents induced carbon chemical shifts is presented.
Abstract: A brief analysis is presnted of the current understanding of substituent perturbations in monosubstituted benzenes as determined by substituent induced carbon chemical shifts. A critical tabulation of the four substituent chemical shifts is given for c. 700 monosubstituted benzenes.

460 citations



Journal ArticleDOI
TL;DR: In this paper, the color changes are due to a planar-nonplanar conformational transition of the polymer backbone, which is stabilized by intramolecular hydrogen bonding between urethane functionalities on adjacent substituent groups.
Abstract: Solutions of certain urethane substituted polydiacetylenes undergo dramatic, reversible color changes on addition of a nonsolvent. In some cases, the lowest energy optical transition of the polymer shifts by more than 5000 cm−1 (21 300 cm−1 to 15 900 cm−1 when the nonsolvent is added). The color changes are shown to be due to a planar–nonplanar conformational transition of the polymer backbone. The planar, fully‐conjugated conformation is stabilized by intramolecular hydrogen bonding between urethane functionalities on adjacent substituent groups.

250 citations



Journal ArticleDOI
TL;DR: In this paper, the optical properties of polydiacetylenes, poly3BCMU and poly4BCMU where the substituent group is CH2)3.4OCONHCH4COOC4H9, are characterized.
Abstract: The optical properties of single crystals and solution‐cast films of two polydiacetylenes, poly3BCMU and poly4BCMU where the substituent group is– (CH2)3.4OCONHCH4COOC4H9, are characterized. Visible absorption and reflection spectra for the polymer crystals are typical of those observed for other urethane substituted polydiacetylenes. The optical properties of the polymer films are controlled primarily by intramolecular hydrogen bonding between the N–H and C=O of the urethane functionalities on adjacent substituent groups. Hydrogen bonding stabilizes the planar, fully conjugated conformation of the individual polymer chains in the films. Increased temperature causes a disruption of the hydrogen bond network and a destabilization of the planar polymer conformation. Dramatic color changes result because of the sensitivity of the optical properties to backbone conformation.

194 citations


Patent
10 Dec 1979
TL;DR: In this article, the formulae for anti-hypertensives are defined, and the substituent is a carboxyalkyl dipeptide derivatives and related compounds.
Abstract: Carboxyalkyl dipeptide derivatives and related compounds which are useful as antihypertensives, and having the formulae: wherein R and R 6 are the same or different and are hydroxy, alkoxy, alkenoxy, dialkylamino alkoxy, acylamino alkoxy, acyloxy alkoxy, aryloxy, alkyloxy, substituted aryloxy or substituted aralkoxy wherein the substituent is methyl, halo, or niethoxy, amino, alkylamino, dialkylamino, aralkylamino or hydroxyamino; R 1 is hydrogen, alkyl of from 1 to 20 carbon atoms, including branched, cyclic and unsaturated alkyl groups; substituted alkyl wherein the substituent is halo, hydroxy, alkoxy, aryloxy amino, alkylamino, dialkylamino, acylamino, arylamino, guanidino, imidazolyl, indolyl, mercapto, alkylthio, arylthio, carboxy, carboxamido, carbalkoxy, phenyl, substituted phenyl wherein the substituent is alkyl, alkoxy or halo; aralkyl or heteroaralkyl, aralkenyl or heteroaralkenyl, substituted aralkyl, substituted heteroaralkyl, substituted aralkenyl or substituted hetereoaralkenyl, wherein the substituent is halo or dihalo, alkyl, hydroxy, alkoxy, amino, aminomethyl, acylamino, dialkylamino, alkylamino, carboxyl, haloalkyl, cyano or sulfonamido, aralkyl or hetereoaralkyl substituted on the alkyl portion by amino or acylamino; R 2 and R 7 are hydrogen or alkyl; R 3 is hydrogen, alkyl, phenylalkyl, aminomethylphenyl- alkyl, hydroxyphenylalkyl, hydroxyalkyl, acetylaminoalkyl, acylaminoalkyl, acylaminoalkyl aminoalkyl, dimethyl- aminoalkyl, haloalkyl, guanidinoalkyl, imidazolylalkyl, indolylalkyl, mercaptoalkyl and aikylthioalkyl; R 4 is hydrogen or alkyl; R 5 is hydrogen, alkyl, phenyl, phenylalkyl, hydroxyphenylalkyl, hydroxyalkyl, aminoalkyl, guanidinoalkyl, imidazolylalkyl, indolylalkyl, mercaptoalkyl or alkylthioalkyl; R and R 5 may be connected together to form an alkylene bridge of from 2 to 4 carbon atoms, an alkylene bridge of from 2 to 3 carbon atoms and one sulphur atom, an alkylene bridge of from 3 to 4 carbon atoms containing a double bond or an alkylene bridge as above, substituted with hydroxy, alkoxy or alkyl and the pharmaceutically acceptable salts thereof.

146 citations



Journal ArticleDOI
TL;DR: The results point to the importance of a hydrophobic binding region in the enzyme from where the alkyl side chain reaches into a narrow crevice toward the active center and positions the primary amine of the substrate for attacking the carbonyl group of the acyl enzyme intermediate.
Abstract: The amine specificity of guinea pig liver transglutaminase, a model enzyme for endo-gamma-glutamine:epsilon-lysin transferases, was explored with the aid of synthetic substrates of high apparent affinities. As exemplified by dansyl- (5-dimethylamino-1-naphthalenesulfonyl), (2,4-dinitrobenzenesulfonyl)-, and (2,4,6-triisopropylbenzenesulfonyl)-cadaverines--each of which showed affinities of approximately 4 x 10(7) M-1--the best amine substrates carried a large hydrophobic substituent attached to an alkylamine side chain of about 7.2 A in length. Altogether, our results point to the importance of a hydrophobic binding region in the enzyme from where the alkyl side chain reaches into a narrow crevice toward the active center and positions the primary amine of the substrate for attacking the carbonyl group of the acyl enzyme intermediate.

118 citations


Journal ArticleDOI
TL;DR: In this article, the authors employed ab initio generalized valence bond and configuration interaction theoretical methods, and calculated C-H bond energies for H3COH, H3CONa, H 3COK, and H3 CO- leading to bond energies (at 0 K) of 90.7 (the experimental value is 9 1.8 f 1.2), 80.6, 79.0, and 74.2 kcal/mol, respectively.
Abstract: Employing ab initio generalized valence bond and configuration interaction theoretical methods, we calculated C-H bond energies for H3COH, H3CONa, H3COK, and H3CO- leading to bond energies (at 0 K) of 90.7 (the experimental value is 9 1.8 f 1.2), 80.6, 79.0, and 74.2 kcal/mol, respectively. This dramatic decrease in the adjacent bond strength due to an oxy substituent helps explain the oxy anionic substituent effect in which very marked rate enhancements have been obtained.




Journal ArticleDOI
TL;DR: In this paper, the 13 C NMR chemical shifts of eleven hydroxy-, two hydroxymethoxy xanthones, and xanthone- C -glucoside, mangiferin, are presented and analyzed.

Patent
08 May 1979
TL;DR: In this article, an article comprising an untreated polyolefin substrate and adherent to a vinyl addition polymer of monomers comprising at least 5% by weight a primary monomer selected from (a) monomers having the formula ##STR1## wherein X is -O-, -NH- or -NR 5 -; R 1 and R 7, individually, are H, methyl or ethyl; R 2 is H or an organic radical, preferably -COOH, -CONH 2 or -COOR 6 ; R 3 is H, or an O-methyl,
Abstract: This invention is concerned with an article comprising an untreated polyolefin substrate and adherent thereto a vinyl addition polymer of monomers comprising at least 5% by weight a primary monomer selected from (a) monomers having the formula ##STR1## wherein X is -O-, -NH- or -NR 5 -; R 1 and R 7 , individually, are H, methyl or ethyl; R 2 is H or an organic radical, preferably -COOH, -CONH 2 or -COOR 6 ; R 3 is H or an organic radical, preferably methyl, other alkyl having up to about five carbon atoms, -CH 2 COOR 6 , -COOR 6 or -CH 2 COOH; R 4 and R 5 , individually, are monocyclic alkyl having six or more carbon atoms, acyclic alkyl having nine or more carbon atoms, or alkaryl having nine or more carbon atoms; R 6 is hydrocarbyl, preferably alkyl; n has a value from zero to about ten; (b) vinyl esters of alkanoic acids having at least eight carbon atoms; (c) alkyl substituted styrenes wherein the substituent group or groups have a total three or more carbon atoms; and mixtures thereof; said polymer having surface energy properties such as to form a stable bond with said substrate. The polymer, used alone or in a blend with other polymers, serves as a coating, a tiecoat, an adhesive or a binder.


Patent
03 Aug 1979
TL;DR: In this article, a method for relieving pain and treating inflammatory conditions in warm-blooded animals, including humans, is described. But this method is not suitable for the treatment of inflammatory conditions.
Abstract: The present invention provides a method of relieving pain and of treating inflammatory conditions in warm-blooded animals, including humans, which comprises administering to a warm-blooded animal suffering from an inflammatory condition a phenyl-alkanoic acid salt of the general formula: ##STR1## wherein R 1 is a hydrogen atom or a methyl radical, R 2 is a halogen atom or an alkyl radical containing up to 5 carbon atoms, which may be straight-chained or branched, for example an isobutyl radical, or is a cyclohexyl radical or is a phenoxy or benzoyl radical, which may be substituted by one or two halogen atoms, R 3 is a hydrogen atom or an allyloxy radical or R 2 and R 3 , together with the phenyl nucleus to which they are attached, represent a naphthyl ring system containing a methoxy substituent, B is a primary, secondary or tertiary amino group or a guanidino or amidino group and n is a whole number not greater than 5, for example B is an amino group and n is 3 (ornithine), B is an amino group and n is 4 (lysine) or B is a guanidino radical and n is 3 (arginine).


Patent
05 Oct 1979
TL;DR: In this paper, a photopolymerizable composition comprising an addition-polymerizable compound having at least one ethylenically unsaturated double bond and an initiator as essential components is defined.
Abstract: In a photopolymerizable composition comprising (1) an addition-polymerizable compound having at least one ethylenically unsaturated double bond and (2) a photopolymerization initiator as essential components, the improvement which comprises that said photopolymerization initiator is a combination of (a) p-dialkylamino aromatic carbonyl compounds represented by the general formulae (1) to (4), (b) 5-isoxazolones represented by the general formula (5) and (c) 2,4,6-substituted-1,3,5-triazines represented by the general formula (6): ##STR1## where R 1 , R 2 and R 3 each represents an alkyl group or a substituted alkyl group, which may be the same or different from one another, X represents a substituent having a Hammett's σ value in the range from -0.9 to 0.7, m represents 1 or 2, A 1 and A 2 each represents an alkyl group, a substituted alkyl group, an alkylcarbonyl group, an alkoxycarbonyl group, an aryl group, a substituted aryl group, an arylcarbonyl group or a hydrogen atom, which may be the same or different from each other, and R 4 , R 5 and R 6 each represents an alkyl group, a substituted alkyl group, an aryl group, a substituted aryl group or an aralkyl group, which may be the same or different from each other, but at least one of them represents a mono-, di- or trihalomethyl group.

Journal ArticleDOI
TL;DR: In this paper, the effect of substituents on these properties and on the fluorescent whitening ability of 1,3,5-triphenyl-2-pyrazolines in general is discussed.
Abstract: A large number of mono-para-substituted 1,3,5-triphenyl-2-pyrazolines and some related compounds has been synthesized, and their absorption and fluorescence properties in cyclohexane and in methanol measured The effect of substituent on these properties and on the fluorescent whitening ability of the 1,3,5-triphenyl-2-pyrazolines in general is discussed The presence of electron-withdrawing substituents, viz, cyano, methylsulfonyl or methoxycarbonyl groups in the para-position of the phenyl rings, has a dramatic effect on the absorption and the fluorescence properties Such substituents located (a) in the l-phenyl ring give pyrazolines exhibiting brilliant blue fluorescence both in methanolic and cyclohexane solution, (b) in the 3-phenyl ring give highly fluorescent yellow compounds which can be considered as dyes and (c) in the 5-phenyl ring cause drastic quenching of the fluorescence


Journal ArticleDOI
TL;DR: In this article, the 13C NMR spectra of 17 methyl and ethyl-substituted tetrahydrofurans and 58 alkyl- and aryl- substituted 1,3-dioxolanes are reported.
Abstract: The 13C NMR spectra of 17 methyl- and ethyl-substituted tetrahydrofurans and 58 alkyl- and aryl- substituted 1,3-dioxolanes are reported. For the cases in which substituents recur, additive substituent parameters are calculated and compared with similar parameters in cyclopentanes and in 6-membered rings. Considering the conformational flexibility of 5-membered ring systems, additivity of the parameters is surprisingly good.

Patent
13 Mar 1979
TL;DR: Sulfonato-organosilanol compounds and aqueous solutions and compositions thereof have at least one sulfonatoorganic substituent therein this article, where the weight percentage of oxygen in the compounds is at least about 30% and the weight proportion of silicon in compounds is not greater than about 15%, these percentages being taken with reference to the water free acid form of the compounds.
Abstract: Sulfonato-organosilanol compounds and aqueous solutions and compositions thereof are provided which have at least one sulfonato-organic substituent therein. The weight percentage of oxygen in the compounds is at least about 30% and the weight percentage of silicon in the compounds is not greater than about 15%, these percentages being taken with reference to the water-free acid form of the compounds. Hydrophilic siliceous surfaces and processes for imparting hydrophilicity to such surfaces are also provided.

Patent
Kirk E. Davis1
19 Nov 1979
TL;DR: In this article, it was shown that alkyl phenols can be easily prepared by nitrating appropriate phenols, such as benzene, naphthalene, and linked benzene nuclei.
Abstract: Nitro phenols of the general formula ##STR1## wherein R is an aliphatic substituent of at least about 40 carbon atoms, a, b and c are, for example, each 1, 2 or 3, and Ar is an aromatic moiety such as a benzene nucleus, naphthalene nucleus or linked benzene nuclei, are useful additives for fuels and lubricants and intermediates to such additives. These nitro phenols can be conveniently prepared by nitrating appropriate phenols. Typically nitro phenols are formed by nitration of alkyl phenols having an alkyl group of at least about 50 carbon atoms.

Journal ArticleDOI
TL;DR: In this paper, the 1H, 13C and 77Se chemical shifts and coupling constants in 14 para- or meta-substituted selenoanisoles, RC6H4SeCH3, have been measured and the dependence of these parameters on the electronic effects of the substituent R is discussed.
Abstract: The 1H, 13C and 77Se chemical shifts and the 1J[C(Me)H(Me)], 1.2J(SeC) and 2J(SeH) coupling constants in 14 para- or meta-substituted selenoanisoles, RC6H4SeCH3, have been measured and the dependence of these parameters on the electronic effects of the substituent R is discussed. A significant (up to 6 ppm) deviation from additivity of the substituent influence on the shielding of the 13C ring carbons has been found.


Patent
02 Jul 1979
TL;DR: C-5 Substituted cytosine nucleosides wherein the C-5 substituent is substituted alkyl, alkenyl or substituted alkinyl; and the pharmaceutically acceptable acid addition salts thereof, are useful as antiviral agents.
Abstract: C-5 Substituted cytosine nucleosides wherein the C-5 substituent is substituted alkyl, alkenyl or substituted alkenyl; and the pharmaceutically acceptable acid addition salts thereof, are useful as antiviral agents. A novel process for the preparation of the subject compounds is also disclosed.

Journal ArticleDOI
TL;DR: In this paper, the antifungal activity of 61 N -phenylsuccinimides and 16 N-phenyl-1,2-dimethylcyclopropanedicarboximides having various benzene ring substituents was determined against Botrytis cinerea by the agar medium dilution method.

Journal ArticleDOI
TL;DR: In this paper, the pKa values for ortho-, meta-, and para-substituted 5-phenyltetrazoles (referred to as tetrazolic acids) and the effect of the nature of the substituent on the strength of the acids are discussed.
Abstract: The values of thermodynamic dissociation constants, Ka, have been determined for ortho-, meta-, and para-substituted 5-phenyltetrazoles (referred to as tetrazolic acids) and the effect of the nature of the substituent on the strength of the acids are discussed. The pKa values, determined in 50%(v/v) ethanol–water and in 75%(v/v) dimethyl sulphoxide–water are correlated with the substituent constants σm and σp, which are equal to 0.64 and 0.56 respectively for the tetrazolyl substituent. To evaluate the contribution of the field and resonance effects, the Ka values were correlated with the i…� and constants based on the Swain–Lupton equation. The correlation, accomplished by using a two-parameter linear regression, gave i…�= 1.17 and =–0.13.