ChemInform Abstract: IMPORTANCE OF THE AROMATIC RING IN ADRENERGIC AMINES. 2. SYNTHESIS AND ADRENERGIC ACTIVITY OF SOME NONAROMATIC SIX- AND EIGHT-MEMBERED RING ANALOGS OF β-PHENYLETHANOLAMINE

1976 ◽  
Vol 7 (17) ◽  
pp. no-no
Author(s):  
G. L. GRUNEWALD ◽  
J. M. GRINDEL ◽  
P. N. PATIL ◽  
K. N. SALMAN
Keyword(s):  
Aromatic Ring ◽  
Membered Ring ◽  
Adrenergic Activity

scholarly journals Crystal structure ofN′-[(E)-(1S,3R)-(3-isopropyl-1-methyl-2-oxocyclopentyl)methylidene]-4-methylbenzenesulfonohydrazide

2015 ◽  
Vol 71 (12) ◽  
pp. o904-o905 ◽  
Author(s):  
David Tymann ◽  
Dina Christina Dragon ◽  
Christopher Golz ◽  
Hans Preut ◽  
Carsten Strohmann ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Aromatic Ring ◽  
Title Compound ◽  
Membered Ring ◽  
Dihedral Angles ◽  
Relative Configuration ◽  
Bond Angles ◽  
Compound C ◽  
A Chain

The title compound, C17H24N2O3S, was synthesized in order to determine the relative configuration of the corresponding β-keto aldehyde. In the U-shaped molecule, the five-membered ring approximates an envelope, with the methylene C atom adjacent to the quaternary C atom being the flap, and the methyl and isopropyl substituents lying to the same side of the ring. The dihedral angles between the four nearly coplanar atoms of the five-membered ring and the flap and the aromatic ring are 35.74 (15) and 55.72 (9)°, respectively. The bond angles around the S atom are in the range from 103.26 (12) to 120.65 (14)°. In the crystal, molecules are linkedviaN—H...O hydrogen bonds, forming a chain along theaaxis.

scholarly journals 4-Acetamido-3-nitrophenyl acetate

2009 ◽  
Vol 65 (6) ◽  
pp. o1194-o1194
Author(s):  
Zhun Gu ◽  
Wei Cheng
Keyword(s):  
Crystal Structure ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Membered Ring ◽  
Compound C ◽  
Twist Conformation

In the molecule of the title compound, C10H10N2O5, intramolecular C—H...O interactions result in the formation of a five- and a six-membered ring. The five-membered ring is planar and is oriented at a dihedral angle of 0.34 (3)° with respect to the plane of the aromatic ring, while the six-membered ring has a twist conformation. In the crystal structure, intermolecular C—H...O interactions link the molecules into chains.

scholarly journals (4R*,5R*)-Diethyl 2-(4-nitrophenyl)-1,3-dioxolane-4,5-dicarboxylate

2012 ◽  
Vol 68 (4) ◽  
pp. o1128-o1128 ◽  
Author(s):  
Chun-Lei Lv ◽  
Jian-Hui Chen ◽  
Yu-Zhe Zhang ◽  
Ding-Qiang Lu ◽  
Ping-Kai OuYang
Keyword(s):  
Nitro Group ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Membered Ring ◽  
Helical Chain ◽  
Compound C ◽  
Twist Conformation

In the title compound, C15H17NO8, the nitro group is essentially coplanar with the aromatic ring [dihedral angle = 6.4 (3) Å]. The five-membered ring has a twist conformation. In the crystal, C—H...O interactions link the molecules into a helical chain propagating along [010].

Cycloproparenyl anions: From models to real systems

2005 ◽  
Vol 77 (11) ◽  
pp. 1835-1850 ◽  
Author(s):  
Mirjana Eckert-Maksic ◽  
Zoran Glasovac
Keyword(s):  
Aromatic Ring ◽  
Linear Extension ◽  
Resonance Effect ◽  
Lone Pair ◽  
Membered Ring ◽  
Electron Interaction ◽  
Anionic Center ◽  
Cyano Groups ◽  
Opposing Effects ◽  
The Impact

An overview of our recent work on cycloproparenyl anions is given. Preparation, the electronic structure, and the properties of the progenitor of the series, cyclopropabenzenyl anion, are discussed. It is shown that the cyclopropabenzenyl anion is by ca. 145 kJ mol-1 more stable than the parent cyclopropenyl anion according to results of the MP2/6-31+G(d) calculations. This finding was attributed to a delicate balance of two opposing effects: (a) propensity of the aromatic ring to alleviate unfavorable 4π electron interaction within the three-membered ring by the anionic resonance effect and (b) a pyramidalization of the anionic center, which tends to maximize the s-character of the lone pair. We have also shown that stability of the cyclopropabenzenyl anion could be considerably enhanced by substitution of the aromatic ring with fluorine and cyano groups, as well as by a linear extension of the aromatic backbone. Finally, the impact of the fusion of additional cyclopropenyl ring to the benzene moiety to acidity of the benzylic position in cyclopropabenzene is discussed.

scholarly journals Crystal structure of (E)-N′-{[(1R,3R)-3-isopropyl-1-methyl-2-oxocyclopentyl]methylidene}-4-methylbenzenesulfonohydrazide

2015 ◽  
Vol 71 (2) ◽  
pp. o99-o100 ◽  
Author(s):  
David Tymann ◽  
Dina Christina Dragon ◽  
Christopher Golz ◽  
Hans Preut ◽  
Carsten Strohmann ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Aromatic Ring ◽  
Title Compound ◽  
Membered Ring ◽  
Dihedral Angles ◽  
Relative Configuration ◽  
Axis Direction ◽  
Compound C ◽  
A Chain

The title compound, C17H24N2O3S, was synthesized in order to determine the relative configuration of the corresponding β-keto aldehyde. In the U-shaped molecule, the five-membered ring approximates an envelope with the methylene atom adjacent to the quaternary C atom being the flap. The dihedral angles between the four nearly coplanar atoms of the five-membered ring and the flap and the aromatic ring are 38.8 (4) and 22.9 (2)°, respectively. The bond angles around the S atom are in the range 104.11 (16)–119.95 (16)°. In the crystal, molecules are linkedviaN—H...O by hydrogen bonds, forming a chain along thea-axis direction.

Konformation konjugierter Cyclopropanderivate mit sterischer Hinderung / The Confirmation of Cyclopropane Derivatives with a Rotation Barrier

1980 ◽  
Vol 35 (1) ◽  
pp. 129-136 ◽  
Author(s):  
Rajiha I. Al-Nia'mi ◽  
Muthana Shanshal
Keyword(s):  
Low Temperature ◽  
Aromatic Ring ◽  
Room Temperature ◽  
Membered Ring ◽  
Rotation Barrier ◽  
Stable Conformation ◽  
Methyl Group ◽  
Planar Conformation ◽  
Pmr Spectra ◽  
Cyclopropane Derivatives

Abstract The influence of α- and o-methyl substituents on the conformation of phenylcyclopropane is studied. Synthesis as well as low temperature PMR studies of the corresponding derivatives are carried out. The changes in the PMR spectra measured at room temperature and -100 °C are too small to count for the rotation barrier calculations. Fo 2,2-dichloro-1-phenyl-cyclopropane (8) ,2,2-dichloro-1-methyl-1-phenyl-cyclopropane (9) and 2,2-dichloro-1-o-tolyl-cyclopropane(10) the predicted most stable conformation is the near-bisected in which the aromatic ring is slightly twisted towards the CI atoms. For 2,2-dichloro-1-(2,6-dimethyl-phenyl)-cyclopropane (11) the planar conformation is predicted to be most stable. MINDO/3-FORCES calculations of the conformations and rotation barriers of similarly methylsubstituted vinyl-cyclopropanes, phenylcyclopropane and 2-cyclopropyl-pyridine are reported. It is found that introducing a methyl group to the a-position of the three membered ring or to the C4 atom f the vinylgroup causes the deviation of the olefine plane from the bisected conformation by 30°. Similar deviations are expected for the α-and o-methyl-phenylcyclopropanes.

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