Comptes Rendus Chimie

Farhad Shirini

Somayeh Akbari-Dadamahaleh

Ali Mohammad-Khah

Rice-husk-supported FeCl3 nano-particles: Introduction of a mild, efficient and reusable catalyst for some of the multi-component reactions

Xiaonan Li

Cédric Hugon

Jérôme Polesel-Maris

Vincent Martinez

Dimitris Sakellariou

Simple procedure for the fabrication of flexible NMR shim coils

Akbar Mobinikhaledi

Hassan Moghanian

Maryam Deinavizadeh

pTSA-catalyzed condensation of xylenols and aldehydes under solvent-free conditions: One-pot synthesis of 9H-xanthene or bisphenol derivatives

Hamid Saeidian

Morteza Abdoli

Robab Salimi

One-pot synthesis of highly substituted pyrroles using nano copper oxide as an effective heterogeneous nanocatalyst

Davinder Prasad

Amreeta Preetam

Mahendra Nath

Supporting Information:
L-Proline accelerated, an eco-friendly synthesis of 9-substituted-2,3,4,9-tetrahydro-1H-xanthen-1-ones under mild conditions
Davinder Prasad, Amreeta Preetam and Mahendra Nath*
Department of Chemistry, University of Delhi, Delhi 110007, India
*E-mail: mnath@chemistry.du.ac.in (​mailto:mnath@chemistry.du.ac.in​)
Crystal data of compound 3a, 1H and 13C NMR spectra of compounds 3a-o.




Table 1.  Crystal data and structure refinement for the compound (3a)
Empirical formula	C23H26O4
Formula weight	366.44
Temperature	150(2) K
Wavelength	0.71073 Å
Crystal system	Monoclinic
Space group	P 21/c
a	7.0588(4) Å
b	20.2685(13) Å
c	13.6518(9) Å
	90°
	93.379(5)°
	90°
Volume	1949.8(2) Å3
Z	4
Density (calculated)	1.248 Mg/m3
Absorption coefficient	0.084 mm-1
F(000)	784
Crystal size	0.23 x 0.22 x 0.19 mm3
Theta range for data collection	2.89 to 24.99°
Index ranges	-8 ≤ h ≤ 8, -24 ≤ k ≤ 24, -16 ≤ l ≤ 16
Reflections collected	14373
Independent reflections	3429 [R(int) = 0.0220]
Completeness to theta = 24.99°	99.9 %
Absorption correction	Multi-scan
Max. and min. transmission	0.9842 and 0.9809
Refinement method	Full-matrix least-squares on F2
Data / restraints / parameters	3429 / 0 / 252
Goodness-of-fit on F2	0.925
Final R indices [I>2sigma(I)]a, b	R1 = 0.0462, wR2 = 0.1208
R indices (all data)	R1 = 0.0535, wR2 = 0.1268
Largest diff. peak and hole	0.166 and -0.228 e.Å-3

aR = ∑(║Fo│– │Fc║)/∑│Fo│; bRW = {∑[w(Fo2 ─ Fc2)2]/∑[w(Fo2)2]}1/2


Figure 1. X-ray structure for 3a.
The intensity data for compound 3a was collected on an Oxford Xcalibur CCD diffractometer equipped with graphite monochromatic Mo-Ka radiation (λ = 0.71073 Ǻ) at 150(2) K [1].A multi-scan absorption correction was applied. The structure was solved by the direct methods using SIR-92 and refined by full-matrix least-squares refinement techniques on F2 using SHELXL97 [2]. The hydrogen atoms were placed into the calculated positions and included in the last cycles of the refinement. All calculations were done using Wingx software package [3].
1. CrysAlisPro, Agilent Technologies, Version 1.171.34.49 (2011).
2. G. M. Sheldrick, Acta Cryst., 2008, A64, 112-122.
3. L. J. Farrugia, WinGX Version 1.80.05, An integrated system of Windows Programs for the Solution, Refinement and Analysis of Single Crystal X-Ray Diffraction Data; Department of Chemistry, University of Glasgow (1997-2009).




Figure 2. 1H NMR spectrum of 3a


Figure 3. 13C NMR spectrum of 3a


Figure 4. 1H NMR spectrum of 3b


Figure 5. 13C NMR spectrum of 3b


Figure 6. 1H NMR spectrum of 3c


Figure 7. 13C NMR spectrum of 3c


Figure 8. 1H NMR spectrum of 3d


Figure 9. 13C NMR spectrum of 3d




Figure 10. 1H NMR spectrum of 3e


Figure 11. 13C NMR spectrum of 3e





Figure 12. 1H NMR spectrum of 3f


Figure 13. 13C NMR spectrum of 3f


Figure 14. 1H NMR spectrum of 3g


Figure 15. 13C NMR spectrum of 3g


Figure 16. 1H NMR spectrum of 3h


Figure 17. 13C NMR spectrum of 3h



Figure 18. 1H NMR spectrum of 3i



Figure 19. 13C NMR spectrum of 3i



Figure 20. 1H NMR spectrum of 3j



Figure 21. 13C NMR spectrum of 3j



Figure 22. 1H NMR spectrum of 3k


Figure 23. 13C NMR spectrum of 3k


Figure 24. 1H NMR spectrum of 3l


Figure 25. 13C NMR spectrum of 3l


Figure 26. 1H NMR spectrum of 3m


Figure 27. 13C NMR spectrum of 3m


Figure 28. 1H NMR spectrum of 3n


Figure 29. 13C NMR spectrum of 3n


Figure 30. 1H NMR spectrum of 3o



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l-Proline-accelerated, eco-friendly synthesis of 9-substituted-2,3,4,9-tetrahydro-1H-xanthen-1-ones under mild conditions

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Ethacrynic acid as a lead structure for the development of potent urease inhibitors

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Rice-husk-supported FeCl<sub>3</sub> nano-particles: Introduction of a mild, efficient and reusable catalyst for some of the multi-component reactions

Simple procedure for the fabrication of flexible NMR shim coils

<i>p</i>TSA-catalyzed condensation of xylenols and aldehydes under solvent-free conditions: One-pot synthesis of 9<i>H</i>-xanthene or bisphenol derivatives

One-pot synthesis of highly substituted pyrroles using nano copper oxide as an effective heterogeneous nanocatalyst

l-Proline-accelerated, eco-friendly synthesis of 9-substituted-2,3,4,9-tetrahydro-1<i>H</i>-xanthen-1-ones under mild conditions

Host-guest inclusion complex between β-cyclodextrin and paeonol: A theoretical approach

Study of in situ generation of carbocationic system from trityl chloride (Ph<sub>3</sub>CCl) which efficiently catalyzed cross-aldol condensation reaction

Recent advances in the homogeneous polymerisation of olefins mediated by nickel complexes

First nanoparticles of Bechgaard salts

Ethacrynic acid as a lead structure for the development of potent urease inhibitors

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