scholarly journals (E)-3-(2,5-Dimethoxyphenyl)-1-{[4-(2,5-dimethoxy-phenyl)-6-((E)-2,5-dimethoxystyryl)-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl]}prop-2-en-1-one and (E)-3-(2,5-Dimethoxyphenyl)-1-{[4-(2,5-dimethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl]}prop-2-en-1-one

Molbank ◽  
10.3390/m1063 ◽  
2019 ◽  
Vol 2019 (2) ◽  
pp. M1063
Author(s):  
Hery Suwito ◽  
Noorma Kurnyawaty ◽  
Ellyca Susetyo ◽  
Yuzkiya Azizah ◽  
Kautsar Ul Haq ◽  
...  
Keyword(s):  
Title Compound ◽  
Aldol Condensation ◽  
Major Product ◽  
Side Product ◽  
Condensation Condition

Dihydropyrimidine derivatives possess great potential to be used as a precursor for the synthesis of wide diverse dihydropyrimidine-like derivatives. In this research, the title compounds were synthesized through the reaction between 5-acetyl-4-(2,5-dimethoxyphenyl)-6-methyl-3,4-dihydropyrimidin-2(1H)-thione and 2,5-dimethoxybenzladehyde under aldol condensation condition. The title compound, (E)-3-(2,5-dimethoxyphenyl)-1-{[(4-(2,5-dimethoxyphenyl)-6-((E)-2,5-dimethoxystyryl)-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)]}prop-2-en-1-one (yield 15%), was obtained as major product, whereas (E)-3-(2,5-dimethoxyphenyl)-1-{[(4-(2,5-dimethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro pyrimidin-5-yl)]}prop-2-en-1-one (yield 8%) as side product through vinylogous aldol condensation.

Ethyl (2,3-dihydro-1H,1′H-2,3′-biindol-1-yl)glyoxylate

2007 ◽  
Vol 63 (3) ◽  
pp. o1415-o1417
Author(s):  
Christian Peifer ◽  
Dimitri Ott ◽  
Dieter Schollmeyer ◽  
Stefan Laufer
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Side Product ◽  
Compound C

The crystal structure of the title compound, C20H18N2O3, was determined in the course of our studies of the synthesis of 3-acylindole derivatives. We obtained it as an unexpected racemic side product. The crystal structure contains chains of dimers along the a axis.

scholarly journals Crystal structure of 1,4-bis[5-(2-methoxyphenyl)-2H-tetrazol-2-yl]butane

2019 ◽  
Vol 75 (12) ◽  
pp. 1844-1847
Author(s):  
Young Min Byun ◽  
Farwa Ume ◽  
Ji Yeon Ryu ◽  
Junseong Lee ◽  
Hyoung-Ryun Park
Keyword(s):  
Title Compound ◽  
Methoxy Group ◽  
Coupling Reaction ◽  
Major Product ◽  
Molar Ratio ◽  
Dihedral Angles ◽  
X Ray ◽  
Compound C ◽  
Crystallographic Study ◽  
Centrosymmetric Dimers

The title compound, C20H22N8O2, was synthesized by the coupling reaction of a sodium tetrazolate salt and dibromobutane in a molar ratio of 2:1. The reaction can produce several possible regioisomers and the title compound was separated as the major product. The X-ray crystallographic study confirmed that the title compound crystallizes in the monoclinic P21/c space group and possesses a bridging butylene group that connects two identical phenyl tetrazole moieties. The butylene group is attached not to the first but the second nitrogen atoms of both tetrazole rings. The dihedral angles between the phenyl groups and the adjacent tetrazolyl rings are 5.32 (6) and 15.37 (7)°. In the crystal, the molecules form centrosymmetric dimers through C—H...O hydrogen bonds between a C—H group of the butylene linker and the O atom of a methoxy group.

Bis(imidazol-2-yl)phosphinic acid hemihydrate, [(C3H3N2)(C3H4N2)PO2].(1/2)H2O

1989 ◽  
Vol 67 (6) ◽  
pp. 1051-1060 ◽  
Author(s):  
Helen E. Howard-Lock ◽  
Colin J.L. Lock ◽  
Sarah Penny ◽  
Mary A. Turner
Keyword(s):  
Single Crystal ◽  
Vibrational Spectroscopy ◽  
Title Compound ◽  
Phosphinic Acid ◽  
Major Product ◽  
X Ray Diffraction ◽  
X Ray ◽  
Bond Lengths ◽  
H Nmr ◽  
Zwitterionic Form

The title compound was obtained as the major product of our handling of the literature preparation of tris(imidazol-2-yl)phosphine. The compound was characterized by 1H NMR, mass and vibrational spectroscopy. The structure was determined by single crystal X-ray diffraction. Crystals were triclinic, [Formula: see text], a = 7.677(1), b = 12.658(2), c = 10.072(2) Å, α = 91.18(1),β = 114.44(1),γ = 99.49(1)°, Z = 4. Intensities were measured on a Syntex P21 diffractometer with MoKα radiation and 3088 reflections were used to determine the structure. R = 0.0698, Rw = 0.0534. The phosphinic acid exists in the solid as the zwitterionic form and bond lengths and angles are normal. Keywords: tris(imidazol-2-yl)phosphine, X-ray structure, bis(imidazol-2-yl)phosphinic acid hemihydrate.

scholarly journals A pyridyl-substituted cyclodisilazane [(Apy)2(μ-SiMe)2] (ApyH2 = 2-aminopyridine)

IUCrData ◽  
2017 ◽  
Vol 2 (3) ◽  
Author(s):  
Rui Li ◽  
Xin-E Duan ◽  
Wei Cao ◽  
Xue-Hong Wei
Keyword(s):  
Nmr Spectroscopy ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
Title Compound ◽  
Membered Ring ◽  
Side Product ◽  
Inversion Center ◽  
X Ray Diffraction ◽  
X Ray ◽  
Compound C

The title compound, C14H20N4Si2 or [(Apy)2(μ-SiMe)2], systematic name 2-[2,2,4,4-tetramethyl-3-(pyridin-2-yl)-1,3,2,4-diazadisiletidin-1-yl]pyridine, was obtained as a side product from the reaction of 2-amino-pyridine with LiBu n followed by the addition of Me2NMe2SiCl in hexane. The compound was characterized by single-crystal X-ray diffraction analysis and NMR spectroscopy. The title compound lies about an inversion center at the centroid of the cyclodisilazane ring. The four-membered Si2N2 core is strictly planar with the two pyridyl rings placed centrosymmetrically on either side of the Si2N2 plane and are almost coplanar with the central four-membered ring.

scholarly journals [2-Chloro-3-nitro-5-(trifluoromethyl)phenyl](piperidin-1-yl)methanone: structural characterization of a side product in benzothiazinone synthesis

2020 ◽  
Vol 76 (9) ◽  
pp. 1442-1446
Author(s):  
Tamira Eckhardt ◽  
Richard Goddard ◽  
Ines Rudolph ◽  
Adrian Richter ◽  
Christoph Lehmann ◽  
...  
Keyword(s):  
Title Compound ◽  
Chair Conformation ◽  
Side Product ◽  
Nucleophilic Attack ◽  
Piperidine Ring ◽  
Competitive Reaction ◽  
Drug Candidates ◽  
New Class ◽  
Benzoyl Isothiocyanate

1,3-Benzothiazin-4-ones (BTZs) are a promising new class of anti-tuberculosis drug candidates, some of which have reached clinical trials. The title compound, the benzamide derivative [2-chloro-3-nitro-5-(trifluoromethyl)phenyl](piperidin-1-yl)methanone, C13H12ClF3N2O3, occurs as a side product as a result of competitive reaction pathways in the nucleophilic attack during the synthesis of the BTZ 8-nitro-2-(piperidin-1-yl)-6-(trifluoromethyl)-1,3-benzothiazin-4-one, following the original synthetic route, whereby the corresponding benzoyl isothiocyanate is reacted with piperidine as secondary amine. In the title compound, the nitro group and the nearly planar amide group are significantly twisted out of the plane of the benzene ring. The piperidine ring adopts a chair conformation. The trifluoromethyl group exhibits slight rotational disorder with a refined ratio of occupancies of 0.972 (2):0.028 (2). There is structural evidence for intermolecular weak C—H...O hydrogen bonds.

Selective aldol condensation of biomass-derived levulinic acid and furfural in aqueous-phase over MgO and ZnO

2016 ◽  
Vol 18 (11) ◽  
pp. 3430-3438 ◽  
Author(s):  
Guanfeng Liang ◽  
Aiqin Wang ◽  
Xiaochen Zhao ◽  
Nian Lei ◽  
Tao Zhang
Keyword(s):  
Aqueous Phase ◽  
Levulinic Acid ◽  
High Selectivity ◽  
Aldol Condensation ◽  
Major Product

MgO affords a high selectivity towards δ-furfurylidenelevulinic acid, while ZnO gives β-furfurylidenelevulinic acid as the major product in the aldol condensation of biomass-derived levulinic acid and furfural in the aqueous-phase.

scholarly journals Isomerization of 1-exo-4,5,67,8,8-Heptachloro-2,3-endo-epoxy-3a,4,7,7a-methanoindane with Base

1971 ◽  
Vol 49 (21) ◽  
pp. 3569-3571 ◽  
Author(s):  
W. P. Cochrane ◽  
M. A. Forbes
Keyword(s):  
Reductive Dechlorination ◽  
Title Compound ◽  
Sodium Methoxide ◽  
Structure Elucidation ◽  
Secondary Alcohol ◽  
Major Product ◽  
Excess Sodium

Treatment of the title compound, 2, with excess sodium methoxide produced an unsaturated secondary alcohol, 3. Structure elucidation was achieved by MnO2 oxidation followed by CrCl2 reductive dechlorination to give as the major product 2-oxa-4,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro-4,7-methanoindane.

(N-Phenylimino)bis[phosphonic bis(diphenylamide)]

2007 ◽  
Vol 63 (11) ◽  
pp. o4428-o4428
Author(s):  
Daniel Chartrand ◽  
Garry S. Hanan
Keyword(s):  
Hydrogen Bond ◽  
Title Compound ◽  
Minimum Distance ◽  
Side Product ◽  
Maximum Distance ◽  
Sulfur Silicon ◽  
Hydrogen Bond Interactions

The title compound, NC6H5[PO(NHC6H5)2]2 or C30H29N5O2P2, was obtained as a side product during the addition of aniline to an amidoyl chloride, using PCl5 as chlorinating agent. The title compound was first synthesized by Murray & Woodward [(1989). Phosphorus Sulfur Silicon, 41, 399–403], again as a by-product, but no crystallographic evidence was given. The title compound crystallizes as two crystallographically unique molecules that form layers in the ab plane through O...H—N hydrogen-bond interactions, with an O...N minimum distance of 2.769 (2)Å and a maximum distance of 3.117 (2) Å. There is also one intramolecular O...H—N bond present in each of the two molecules, with an average O...N distance of 2.959 (4) Å.

scholarly journals Trimethyl 4,4′,4′′-(ethene-1,1,2-triyl)tribenzoate

IUCrData ◽  
2020 ◽  
Vol 5 (3) ◽  
Author(s):  
Melvin J. G. Lesley ◽  
Koray Ozhan ◽  
Herman H.-Y. Sung ◽  
Ian D. Williams
Keyword(s):  
Palladium Catalyst ◽  
Title Compound ◽  
Room Temperature ◽  
Suzuki Coupling ◽  
Major Product ◽  
Slow Evaporation ◽  
Compound C

The title compound, C26H22O6, is formed as the major product from the reaction between syn-1,2-bis(pinacolatoboron)-1,2-bis(4-methylcarboxyphenyl)ethene and excess methyl 4-iodobenzoate in basic DMSO using a palladium catalyst at 80°C via Suzuki coupling followed by protodeboronation. Crystals were grown by slow evaporation of a hexanes solution at room temperature.

scholarly journals Poly[1-ethyl-3-methylimidazolium [tri-μ-isothiocyanato-manganate(II)]]

IUCrData ◽  
2019 ◽  
Vol 4 (12) ◽  
Author(s):  
Tim Peppel ◽  
Martin Köckerling
Keyword(s):  
Title Compound ◽  
Side Product ◽  
Two Dimensional ◽  
Metathesis Reaction ◽  
Compound C ◽  
Dimensional Network ◽  
Complex Anions

The title compound, {(C9H11N2)[Mn(NCS)3]} n , has been obtained as a side product of the salt metathesis reaction of 1-ethyl-3-methylimidazolium bromide, (EMIm)Br, and K2[Mn(NCS)4]. The structure consists of discrete 1-ethyl-3-methylimidazolium cations and an anionic two-dimensional network of manganese(II)-based complex anions, interconnected by thiocyanate ions. Every Mn2+ ion is coordinated by three S atoms of three NCS− ions and three N atoms of further three NCS− ions in a meridional octahedral fashion.

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