SCOPUS 정보 검색 플랫폼

Volumn 73, Issue 22, 2008, Pages 9094-9101

High-yielding, regiospecific synthesis of cis(4,4′)- di(carbomethoxybenzo)-30-crown-10, its conversion to a pyridyl cryptand and strong complexation of 2,2′- and 4,4′-bipyridinium derivatives

(5) Pederson, Adam M P a Ward, Elizabeth M a Schoonover, Daniel V a Slebodnick, Carla a Gibson, Harry W a

a VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACETONE; CHEMICAL REACTIONS; CROWN ETHERS; ETHERS; HERBICIDES; HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; MASS SPECTROMETRY; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; ORGANIC COMPOUNDS; VOLUMETRIC ANALYSIS;

ASSOCIATION CONSTANTS; BINDING CONSTANTS; BIPYRIDINIUM; CHEMICAL EQUATIONS; CRYPTAND; CRYSTALLOGRAPHIC ANALYSES; DICARBONYL CHLORIDES; HIGH YIELDING; ISOTHERMAL TITRATION CALORIMETRIES; NMR SPECTROSCOPIES; PYRIDYL; REGIOSPECIFIC SYNTHESIS;

SYNTHESIS (CHEMICAL);

4,4' BIS(CARBOMETHOXYBENZO) 30 CROWN 10; CRYPTAND; DIQUAT; ETHER DERIVATIVE; PARAQUAT; PYRIDINE DERIVATIVE; PYRIDINIUM DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; CHEMICAL BINDING; CHEMICAL REACTION; COMPLEX FORMATION; ISOTHERMAL TITRATION CALORIMETRY; MASS SPECTROMETRY; PROTON NUCLEAR MAGNETIC RESONANCE; SYNTHESIS; X RAY CRYSTALLOGRAPHY;

EID: 56449123867 PISSN: 00223263 EISSN: None Source Type: Journal
DOI: 10.1021/jo801886x Document Type: Article

Times cited : (67)

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65
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- Yellow plates (0.03 x 0.17 x 0.23 mm3) of 12·3b crystallized from acetone/ethyl acetate at room temperature. The chosen crystal was centered on the goniometer of an Oxford Diffraction Gemini S diffractometer operating with Cu Kα radiation. The data collection routine, unit cell refinement, and data processing were carried out with the program CrysAlis. 15 The Laue symmetry was consistent with the triclinic space groups P1 and PL The centric space group P1 was chosen based on the |E2-1| value, E2-1, 1.027, The structure was solved by direct methods and refined using SHELXTL NT.18 The asymmetric unit of the structure comprises 2 host-guest complexes, 3 water molecules, and 2.7 acetone molecules. The final refinement model involved anisotropic displacement parameters for non-hydrogen atoms and a riding model for all hydrogen atoms. The hydrogen atoms from the water molecules could not be located i
- 6 anion and two acetone molecules. Attempts to model this disorder did not improve the refinement and were abandoned. Because of extremely large thermal parameters, the occupancy of the acetone molecule containing O(34) was allowed to refine and converged to 0.695(12).

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- 56449110609
- Orange plates (0.07 x 0.15 x 0.20 mm3) of 12·4 crystallized from acetone/pentane by vapor diffusion at room temperature. The chosen crystal was centered on the goniometer of an Oxford Diffraction Gemini S diffractometer operating with Mo Kα radiation. The data collection routine, unit cell refinement, and data processing were carried out with the program CrysAlis.15 The Laue group was consistent with the triclinic space groups P1 and P1 The structure was solved direct methods in both P1 and P1 and refined using SHELXTL NT.18 Preliminary refinements suggested disorder with both space groups; the centric space group P1 was chosen. In P1, the asymmetric unit of the structure comprises one crystallographically independent [C37H 45NO14·C12H12N 2][PF6]2. The final refinement model involved anisotropic dis
- 6 anion was modeled with 2-position disorder with occupancies that refined to 0.500(5). Both anions were restrained to be octahedral using the SADI command in SHELXL-97. Although the displacement ellipsoids of the host molecule suggest additional disorder, discrete disorder sites in the host could not be found and attempts to model this disorder were abandoned.

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- 0001495032
- Ouchi, M.; Inoue. Y.; Kanzaki, T.; Hakushi, T. J. Org. Chem. 1984, 49, 1408-1412.
- (1984) J. Org. Chem , vol.49 , pp. 1408-1412
- Ouchi, M.¹ Inoue, Y.² Kanzaki, T.³ Hakushi, T.⁴

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- 0003514816
- Wiley: New York
- Fieser, M.; Fieser, L.; Smith, J. G. Reagents for Organic Synthesis; Wiley: New York, 1967.
- (1967) Reagents for Organic Synthesis
- Fieser, M.¹ Fieser, L.² Smith, J.G.³

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.