scholarly journals Cyclohexanone and Phenolic Acid Derivatives from Endophytic Fungus Diaporthe foeniculina

2021 ◽  
Vol 9 ◽  
Author(s):  
Xiuxiang Lu ◽  
Yanjiang Zhang ◽  
Wenge Zhang ◽  
Huan Wang ◽  
Jun Zhang ◽  
...  
Keyword(s):  
Single Crystal ◽  
Phenolic Acid ◽  
Endophytic Fungus ◽  
Quantum Chemical ◽  
Nmr Spectra ◽  
Antibacterial Activities ◽  
X Ray ◽  
Phenolic Acid Derivatives ◽  
C Nmr

Chemical investigation of an endophytic fungus Diaporthe foeniculina SCBG-15, led to the isolation of eight new cyclohexanone derivatives, foeniculins A–H (1–8) and three new phenolic acid derivatives, foeniculins I–K (9–11). Their structures were extensively established on the basis of 1H and 13C NMR spectra together with COSY, HSQC, HMBC, and NOESY experiments. The absolute configurations were confirmed by quantum chemical ECD calculations and single-crystal X-ray diffractions. Moreover, the in vitro cytotoxic and antibacterial activities of isolated compounds 1–11 were also evaluated.

Bis[dicarbonyl(cyclopentadienyl)ruthenium(I)] Komplexe / Bis[dicarbonyl(cyclopentadienyl)ruthenium(I)] Complexes

2002 ◽  
Vol 57 (9) ◽  
pp. 1017-1026 ◽  
Author(s):  
Herbert Schumann ◽  
Susanne Stenz ◽  
Frank Girgsdies ◽  
Stefan H. Mühle
Keyword(s):  
Single Crystal ◽  
Nmr Spectra ◽  
X Ray ◽  
Tert Butyl ◽  
New Compounds ◽  
C Nmr

Ru3(CO)12 reacts with 1-tert-butyl-2,4-cyclopentadiene (1), 1-trimethylsilyl-2,4-cyclopentadiene (2), 1-tert-butyl-3-methyl-2,4-cyclopentadiene (3), 1,3-di(tert-butyl)-2,4-cyclopentadiene (4), 1-iso-propyl-2,3,4,5-tetramethyl-2,4-cyclopentadiene (5), 1-tert-butyl-2,3,4,5-tetramethyl- 2,4-cyclopentadiene (6), 1-phenyl-2,3,4,5-tetramethyl-2,4-cyclopentadiene (7), 2,5- diphenyl-2,4-cyclopentadiene (8), or 2,3,4,5-tetraphenyl-2,4-cyclopentadiene (9) with formation of the corresponding bis[dicarbonyl(cyclopentadienyl) ruthenium(I)] complexes [RuCp# (CO)2]2 1a to 9a. The 1H and 13C NMR spectra of the new compounds 3a and 5a to 9a as well as the single crystal X-ray structures of 1a, 4a, 5a, 7a, 8a, and 9a are reported and discussed

Triferrocenylborane – Molecular Structure in Solution and in the Solid State

1995 ◽  
Vol 50 (2) ◽  
pp. 201-204 ◽  
Author(s):  
Bernd Wrackmeyer ◽  
Udo Dörfler ◽  
Wolfgang Milius ◽  
Max Herberhold
Keyword(s):  
Molecular Structure ◽  
Solid State ◽  
Low Temperature ◽  
Single Crystal ◽  
Nmr Spectra ◽  
The Other ◽  
X Ray ◽  
Single Diastereomer ◽  
Structure In Solution ◽  
C Nmr

According to a single crystal X-ray structure determination all three ferrocenyl substituents of triferrocenylborane (1) adopt the same orientation with respect to the BC3-plane [P21/c monoclinic; Z = 4; a = 1353.5(3), b = 1695.6(3), c = 1056.4(2) pm, β = 109.27(3)°]. The simulated X-ray powder pattern of the single crystal is identical with the powder diagram of a macroscopic sample, indicating the presence of a single diastereomer (1a) in the solid state. However, at low temperature (< - 95 °C) in solution, the 13C NMR spectra suggest the presence of the second diastereomer (1b) in which one ferrocenyl group is oriented opposite to the other two with respect to the central BC3-plane.

scholarly journals Synthesis, Characterization, Crystal Structure, and Biological Studies of a Cadmium(II) Complex with a Tridentate Ligand 4′-Chloro-2,2′:6′,2′′-Terpyridine

2011 ◽  
Vol 2011 ◽  
pp. 1-7 ◽  
Author(s):  
L. A. Saghatforoush ◽  
L. Valencia ◽  
F. Chalabian ◽  
Sh. Ghammamy
Keyword(s):  
Crystal Structure ◽  
Ir Spectroscopy ◽  
Single Crystal ◽  
Antibacterial Activities ◽  
Tridentate Ligand ◽  
Single Crystal Diffraction ◽  
X Ray ◽  
H Nmr ◽  
Biological Studies ◽  
C Nmr

A new Cd(II) complex with the ligand 4′-chloro-2,2′6′,2′′-terpyridine (Cltpy), [Cd(Cltpy)(I)2], has been synthesized and characterized by CHN elemental analysis,1H-NMR,13C-NMR, and IR spectroscopy and structurally analyzed by X-ray single-crystal diffraction. The single-crystal X-ray analyses show that the coordination number in complex is five with three terpyridine (Cltpy) N-donor atoms and two iodine atoms. The antibacterial activities of Cltpy and its Cd(II) complex are tested against different bacteria.

N-Benzyl- und N-Heptyl-substituierte Tetraazacyclododecane / N-Benzyl and N-Heptyl Substituted Tetraazacyclodecanes

2004 ◽  
Vol 59 (11-12) ◽  
pp. 1415-1422 ◽  
Author(s):  
Herbert Schumann ◽  
Katharina Kuse ◽  
Sebastian Dechert
Keyword(s):  
Single Crystal ◽  
Mass Spectroscopy ◽  
Copper Complex ◽  
Nmr Spectra ◽  
X Ray ◽  
New Compounds ◽  
C Nmr

1,5-Bis(methylsulfonyloxi)-3-aza-3-p-toluenesulfonylamidopentane (1) reacts with 4-benzyl-1,7- bis(p-toluenesulfonyl)diethylenetriamine (2) and 4-benzyl-1,7-bis(p-nitrophenylsulfonyl)diethylenetriamine (3) and Cs2CO3 yielding 1-benzyl-4,7,10-tris(p-toluenesulfonyl)-1,4,7,10-tetraazacyclododecane (9a) and 1-benzyl-4,10-bis(p-nitrophenylsulfonyl)-7-p-toluenesulfonyl)-1,4,7,10-tetraazacyclododecane (10a), respectively. The corresponding dimers 1,13-bis(benzyl)-4,7,10,16,19,22- hexa(p-toluenesulfonyl)-1,4,7,10,13,16,19,22-octaazacyclotetracosane (9b) and 1,13-bis(benzyl)- 4,10,16,22-tetra(p-nitrophenylsulfonyl)-7,19-bis(p-toluenesulfonyl)-1,4,7,10,13,16,19,22-octaazacyclotetracosane (10b) could not be isolated but detected by mass spectroscopy. The reactions of 1 with 4-heptyl-1,7-bis(p-nitrophenylsulfonyl)diethylenetriamine (5) and Cs2CO3 results in the formation of 1-heptyl-4,10-bis(p-nitrophenylsulfonyl)-7-p-toluenesulfonyl)-1,4,7,10-tetraazacyclododecane (11) and 1 reacts with 4-benzyl-diethylenetriamine (4) and Cu(O2CCH3)2 forming the dimeric copper complex [{C6H5CH2N(CH2CH2NH2}2Cu(μ-Cl)OSO2CH3]2 (12). The 1H and 13C NMR spectra of the new compounds as well as the single crystal X-ray structure analyses of 9a, 11, and 12 are reported and discussed.

scholarly journals Übergangsmetall- und Lanthanoid-Komplexe von 1,4,7,10-Tetraallylund 1,4,7,10-Tetra-3-butenyl-1,4,7,10-tetraazacyclododecan

2009 ◽  
Vol 64 (1) ◽  
pp. 93-100 ◽  
Author(s):  
Herbert Schumann ◽  
Katharina Kuse ◽  
Markus Hummert ◽  
Joachim Pickardt
Keyword(s):  
Coordination Polymer ◽  
Single Crystal ◽  
Nmr Spectra ◽  
X Ray ◽  
C Nmr

1,4,7,10-Tetraazacyclododecane (1) reacts with allylbromide and 3-butenylbromide giving 1,4,7,10-tetraallyl-1,4,7,10-tetraazacyclododecane (TAC) (2a) and 1,4,7,10-tetra-3-butenyl-1,4,7,10- tetraazacyclododecane (TBC) (2b), respectively. Compounds 2a and 2b react with FeCl2, CoCl2, RhCl3, NiCl2, CuBr2, and TmCl3 forming the complexes [FeCl(TAC)]Cl (3a), [FeCl(TBC)]Cl (3b), [CoCl(TAC)]Cl (4), [RhCl(TAC)]Cl2 (5), [NiCl(TAC)]Cl (6a), [NiCl(TBC)]Cl (6b), [CuBr(TAC)]Br (7), [TmCl(TAC)]Cl2 (8a), and [TmCl(TBC)]Cl2 (8b). The reaction of 6a with an excess of CuCl affords a coordination polymer in which [NiCl(TAC)]+ cations are connected by [Cu6Cl8]2− anions (9). The 1H and 13C NMR spectra of 2a, 2b, 5, and 6a, as well as the single crystal X-ray structures of 2a ・3HCl, 6a, 6b, 7, and 9 are reported and discussed.

Ruthenocene mit sterisch anspruchsvollen Cyclopentadienylliganden

2003 ◽  
Vol 58 (6) ◽  
pp. 514-520 ◽  
Author(s):  
Herbert Schumann ◽  
Susanne Stenz ◽  
Stefan H. Mühle
Keyword(s):  
Single Crystal ◽  
Nmr Spectra ◽  
Butyl Lithium ◽  
X Ray ◽  
Tert Butyl ◽  
Tributyltin Chloride ◽  
C Nmr

1-tert-Butyl-2,4-cyclopentadiene (1), 1,3-di(tert-butyl)-2,4-cyclopentadiene (2), 1-ethyl-2,3,4,5- tetramethyl-2,4-cyclopentadiene (3), 1-iso-propyl-2,3,4,5-tetramethyl-2,4-cyclopentadiene (4), 1- tert-butyl-2,3,4,5-tetramethyl-2,4-cyclopentadiene (5), and 1-phenyl-2,3,4,5-tetramethyl-2,4-cyclopentadiene (6) react with n-butyl lithium followed by tributyltin chloride to give the corresponding tributyl(cyclopentadienyl)stannanes Bu3SnCp# 1a to 6a. The reactions of 1a to 6a with Ru(COD)Cl2 result in the formation of the corresponding ruthenocenes RuCp2# 1b to 6b. Ru(C5H3Ph2)2 (7b) is prepared from [Ru(p-cymol)Cl2]2 and Na[C5H3Ph2]. The 1H and 13C NMR spectra of the new stannanes 1a to 6a and the ruthenocenes 1b to 7b as well as the single crystal X-ray structure of 4b are reported and discussed.

Synthesis and X-Ray Single Crystal Structure of Dialkyl 2-[1-(2,2-Dimethylpropionyl)-3,3-dimethyl-2-oxobutyl]-3- (triphenylphosphoranylidene)succinates

2006 ◽  
Vol 61 (9) ◽  
pp. 1128-1133 ◽  
Author(s):  
Ali Ramazani ◽  
Ali Reza Kazemizadeh ◽  
Ebrahim Ahmadi ◽  
Katarzyna Ślepokura ◽  
Tadeusz Lis
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Nmr Spectra ◽  
Single Crystal Structure ◽  
Phosphorus Ylides ◽  
One Pot ◽  
X Ray ◽  
Dialkyl Acetylenedicarboxylates ◽  
High Yields ◽  
C Nmr

Abstract A one-pot synthesis of sterically congested phosphorus ylides in fairly high yields by the reaction of 2,2,6,6-tetramethyl-3,5-heptanedione, dialkyl acetylenedicarboxylates and triphenylphosphine is reported. The structures of these compounds were confirmed by IR, 1H, 31P and 13C NMR spectroscopy, and X-ray single crystal structure determination. The NMR spectra (CDCl3 as solvent) indicated that the compounds contained two rotamers for each ylide.

scholarly journals Sessilifol A and B, Urease Inhibitory Pimarane-type Diterpenes from Hymenocrater sessilifolius

2017 ◽  
Vol 12 (12) ◽  
pp. 1934578X1701201
Author(s):  
Sadia Khan ◽  
Muhammad Shaiq Ali ◽  
Zeeshan Ahmed ◽  
Mehreen Lateef ◽  
Sammer Yousuf ◽  
...  
Keyword(s):  
Single Crystal ◽  
Vanillic Acid ◽  
Nmr Spectra ◽  
Soluble Fraction ◽  
2D Nmr ◽  
X Ray Diffraction ◽  
X Ray ◽  
Inhibitory Potential ◽  
Urease Inhibitory ◽  
C Nmr

New pimarane type diterpenes named sessilifol A (1) and B (2) have been isolated from the EtOH soluble fraction of Hymenocrater sessilifolius Benth., along with eight known constituents cirsimaritin (3), gardenin C (4), β-sitosterol (5), saringosterol (6), β-sitosterol glucoside (7), ursolic acid (8), sucrose (9) and vanillic acid (10). Their structures were elucidated on the basis of 1H- and 13C-NMR spectra and by 2D-NMR experiments. The structure of 1 was further confirmed by single crystal X-ray diffraction technique. The compound 2 showed potent inhibitory potential against the enzyme urease while 1, 3, 4 and 10 were moderately active.

scholarly journals Synthesis of 4-(2-fluorophenyl)-7-methoxycoumarin: experimental and computational evidence for intramolecular and intermolecular C–F···H–C bonds

2020 ◽  
Vol 16 ◽  
pp. 190-199
Author(s):  
Vuyisa Mzozoyana ◽  
Fanie R van Heerden ◽  
Craig Grimmer
Keyword(s):  
Single Crystal ◽  
Phenyl Ring ◽  
Fluorine Atom ◽  
Nmr Spectra ◽  
Intramolecular Interaction ◽  
X Ray ◽  
Solution State ◽  
H Nmr ◽  
Mild Conditions ◽  
C Nmr

4-(2-Fluorophenyl)-7-methoxycoumarin (6) was synthesized by Pechmann reaction under mild conditions via a three-step reaction. The solution-state 1H NMR spectra of 6 showed a strong intramolecular interaction between F and H5 (J FH = 2.6 Hz) and 13C NMR suggested that this C–F···H–C coupling is a through-space interaction. The 2D 19F-{1H} HOESY and 1H-{19F} 1D experiments were done to confirm this F···H interaction. The single crystal X-ray structure and the DFT-optimized structure showed that the fluorinated phenyl ring favors the orientation with the fluorine atom closer to H5 than H3. The X-ray structure also showed the existence of the intermolecular C–F···H–C interaction.

scholarly journals Synthesis of 4-(2-fluorophenyl)-7-methoxycoumarin: experimental and computational evidence for intramolecular and intermolecular C-F…H-C bond

2019 ◽  
Author(s):  
Vuyisa Mzozoyana ◽  
Fanie R van Heerden ◽  
Craig Grimmer
Keyword(s):  
Single Crystal ◽  
Phenyl Ring ◽  
Fluorine Atom ◽  
Nmr Spectra ◽  
Intramolecular Interaction ◽  
X Ray ◽  
Solution State ◽  
H Nmr ◽  
Mild Conditions ◽  
C Nmr

4-(2-fluorophenyl)-7-methoxycoumarin (6) was synthesized by Pechmann reaction under mild conditions via a three step-reaction. The solution-state 1H NMR spectra of 6 showed a strong intramolecular interaction between F and H5 (J FH = 2.6 Hz) and 13C NMR suggested that this C-F…H-C coupling is a through-space interaction. The 2‑D HOESY spectrum and 1H‑{19F} 1‑D spectrum were also done to confirm this F…H interaction. The single crystal X-ray structure and the DFT-optimized structure showed that the fluorinated phenyl ring favours the orientation with the fluorine atom is closer to H5 than H3. The X-ray structure also showed the existence of the intermolecular C-F…H-C interactions.

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