An expedient pseudo four-component synthesis of dispiroindandione fused indeno-N-methylmorpholine, spectroscopic, X-ray diffraction and DFT studies

被引：4

作者：

Almansour, Abdulrahman I. ^{[1
]}

Arumugam, Natarajan ^{[1
]}

Kumar, Raju Suresh ^{[1
]}

Padmanaban, R. ^{[2
]}

Rajamanikandan, V. B. ^{[2
]}

Ghabbour, Hazem A. ^{[3
]}

Fun, Hoong-Kun ^{[3
]}

机构：

[1] King Saud Univ, Coll Sci, Dept Chem, Riyadh, 11451, Saudi Arabia

[2] Pondicherry Univ, Sch Phys Chem & Appl Sci, Dept Chem, Kalapet 605014, Puducheny, India

[3] King Saud Univ, Coll Pharm, Dept Pharmaceut Chem, Riyadh 11451, Saudi Arabia

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2014年 / 1063卷

关键词：

Spiroheterocycle; Cascade cycloaddition reaction; X-ray diffraction studies; DFT-calculation; ANTIMYCOBACTERIAL ACTIVITY; CYCLOADDITION REACTIONS; FACILE SYNTHESIS; TANDEM; CONSTRUCTION; 3-COMPONENT; DERIVATIVES;

D O I：

10.1016/j.molstruc.2014.01.075

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Synthesis of a novel heterocycle comprising N-methylmorpholine, spiroindandione and indenone units in good yield via one-pot pseudo four-component cascade cycloaddition reaction is described. The structure of the cycloadduct was elucidated by spectroscopic analysis and its complete stereochemistry was assigned by single crystal X-ray diffraction analysis. Further, the mechanistic rationalization for the formation of the hitherto unexpected cycloadduct is provided by performing density functional theory (DFT) calculations. (C) 2014 Elsevier B.V. All rights reserved.

引用

页码：283 / 288

页数：6

共 42 条

[21] Designing of two new cadmium(II) complexes as bio-active materials: Synthesis, X-ray crystal structures, spectroscopic, DFT, and molecular docking studies [J].

OmarAli, Al-Ameen Bariz ;

Ahmed, Randa Khalid ;

Al-Karawi, Ahmed Jasim M. ;

Marah, Sarmad ;

Kansiz, Sevgi ;

Sert, Yusuf ;

Jaafar, Marwah Issa ;

Dege, Necmi ;

Poyraz, Emine Berrin ;

Ahmed, Ahmed M. A. ;

Ozen, Tevfik ;

Loukil, Mohamed ;

Jwad, Rasha Saad .

JOURNAL OF MOLECULAR STRUCTURE, 2023, 1290

[22] Novel p-tolylimido rhenium(V) complexes incorporating quinoline-2-carboxylate ion - Synthesis, X-ray studies, spectroscopic characterization and DFT calculations [J].

Machura, B. ;

Wolff, M. ;

Gryca, I. .

INORGANICA CHIMICA ACTA, 2011, 370 (01) :7-17

[23] Designing of eight-coordinate manganese(II) complexes as bio-active materials: Synthesis, X-ray crystal structures, spectroscopic, DFT, and molecular docking studies [J].

Ahmed, Randa Khalid ;

Omarali, Al-Ameen Bariz ;

Al-Karawi, Ahmed Jasim M. ;

Marah, Sarmad ;

Jaafar, Marwah Issa ;

Dege, Necmi ;

Poyraz, Emine Berrin ;

Ozen, Tevfik ;

Loukil, Mohamed ;

Alisir, Sevim Hamamci ;

Abdallah, Abanoub Mosaad .

POLYHEDRON, 2023, 244

[24] Crystal structure, vibrational and optic properties of 2-N-methylamino-3-methylpyridine N-oxide - Its X-ray and spectroscopic studies as well as DFT quantum chemical calculations [J].

Bryndal, I. ;

Lorenc, J. ;

Macalik, L. ;

Michalski, J. ;

Sasiadek, W. ;

Lis, T. ;

Hanuza, J. .

JOURNAL OF MOLECULAR STRUCTURE, 2019, 1195 :208-219

[25] New C-3 Substituted 1H- and 2H-Indazolephosphonic Acid Regioisomers: Synthesis, Spectroscopic Characterization and X-Ray Diffraction Studies [J].

Teixeira, Fatima C. ;

Antunes, Ines F. ;

Curto, M. Joao M. ;

Teresa Duarte, M. ;

Andre, Vania ;

Teixeira, Antonio P. S. .

CHEMISTRYSELECT, 2021, 6 (36) :9599-9607

[26] Synthesis, Spectroscopy, X-ray Crystallography, and DFT Studies of Dichlorobis[1-(allyl)-1H-imidazole-κN3]copper(II) [J].

Yildirim, Ilkay ;

Firinci, Rukiye ;

Gunay, M. Emin ;

Ozdemir, Namik .

RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 93 (13) :2758-2764

[27] Synthesis, X-ray studies, spectroscopic characterization and DFT calculations of [ReO(hmbzim)2(py)]Cl•H2O and [ReO(hpbzim)2(Hhpbzim)]Cl [J].

Machura, B. ;

Wolff, M. ;

Penkala, M. .

POLYHEDRON, 2012, 44 (01) :156-164

[28] Synthesis, Spectroscopy, X-ray Crystallography, and DFT Studies of Dichlorobis[1-(allyl)-1H-imidazole-κN3]copper(II) [J].

Rukiye İlkay Yıldırım ;

M. Emin Fırıncı ;

Namık Günay .

Russian Journal of Physical Chemistry A, 2019, 93 :2758-2764

[29] Facile one-pot synthesis of novel dicyanoanilines fused to tetrahydro-4H-thiopyran-4-one ring via Et3N/H2O catalyzed pseudo four-component reaction [J].

Abaee, M. Saeed ;

Forghani, Soodabeh ;

Mojtahedi, Mohammad M. ;

Harms, Klaus .

JOURNAL OF SULFUR CHEMISTRY, 2016, 37 (06) :683-691

[30] Synthesis, single-crystal X-ray diffraction, NLO and DFT studies of centrosymmetric 4-amino-3,5-dimethyl-1H-pyrazolium citrate monohydrate salt [J].

Radhika, B. ;

Prashanth, J. ;

Basavoju, Srinivas ;

Jyothi, S. ;

Reddy, B. Venkatram .

MOLECULAR PHYSICS, 2022, 120 (06)

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