scholarly journals N-[(1R)-1-(4-Chlorophenyl)ethyl]-Cyanamide

Molbank ◽  
10.3390/m1198 ◽  
2021 ◽  
Vol 2021 (2) ◽  
pp. M1198
Author(s):  
Rebeca González-Fernández ◽  
Pascale Crochet ◽  
Victorio Cadierno
Keyword(s):  
1H Nmr ◽  
Diethyl Ether ◽  
Title Compound ◽  
Cyanogen Bromide ◽  
Specific Rotation

The title compound was synthesized by electrophilic cyanation of commercially available (R)-4-chloro-α-methylbenzylamine with cyanogen bromide in diethyl ether, and isolated as a yellow oil in 84% yield. It was characterized by 1H and 13C{1H] NMR, IR, HRMS, and specific rotation measurements.

119Sn, 13C and 1H NMR Spectra of Tris(1-butyl)stannyl D-Glucuronate

1997 ◽  
Vol 62 (8) ◽  
pp. 1169-1176 ◽  
Author(s):  
Antonín Lyčka ◽  
Jaroslav Holeček ◽  
David Micák
Keyword(s):  
Chemical Shift ◽  
Carbonyl Group ◽  
1H Nmr ◽  
Equatorial Plane ◽  
Title Compound ◽  
Nmr Spectra ◽  
Hydroxyl Groups ◽  
Carboxylic Group ◽  
H Nmr ◽  
Oxygen Atoms

The 119Sn, 13C and 1H NMR spectra of tris(1-butyl)stannyl D-glucuronate have been measured in hexadeuteriodimethyl sulfoxide, tetradeuteriomethanol and deuteriochloroform. The chemical shift values have been assigned unambiguously with the help of H,H-COSY, TOCSY, H,C-COSY and 1H-13C HMQC-RELAY. From the analysis of parameters of 119Sn, 13C and 1H NMR spectra of the title compound and their comparison with the corresponding spectra of tris(1-butyl)stannyl acetate and other carboxylates it follows that in solutions of non-coordinating solvents (deuteriochloroform) the title compound is present in the form of more or less isolated individual molecules with pseudotetrahedral environment around the central tin atom and with monodentately bound carboxylic group. The interaction of tin atom with oxygen atoms of carbonyl group and hydroxyl groups of the saccharide residue - if they are present at all - are very weak. In solutions in coordinating solvents (hexadeuteriodimethyl sulfoxide or tetradeuteriomethanol), the title compound forms complexes with one molecule of the solvent. Particles of these complexes have a shape of trigonal bipyramid with the 1-butyl substituents in equatorial plane and the oxygen atoms of monodentate carboxylic group and coordinating solvent in axial positions.

scholarly journals (E)-1,1,1-Trifluoro-6,6-bis(4-methoxyphenyl)hexa-3,5-dien-2-one

Molbank ◽  
10.3390/m1120 ◽  
2020 ◽  
Vol 2020 (1) ◽  
pp. M1120
Author(s):  
Victorio Cadierno
Keyword(s):  
1H Nmr ◽  
Title Compound ◽  
High Yield

The title compound was obtained in high yield (84%) via the deacetylation of 3-(3,3-bis(4-methoxyphenyl)allylidene)-1,1,1,5,5,5-hexafluoro-2,4-pentanedione with K2CO3 in refluxing methanol. This previously unreported compound has been fully characterized by 19F{1H}, 1H and 13C{1H} NMR, IR, UV-Vis, and HRMS.

scholarly journals N-Benzo[c][1,2,5]thiazol-4-yl-3-trifluoromethylbenzamide

Molbank ◽  
10.3390/m1075 ◽  
2019 ◽  
Vol 2019 (3) ◽  
pp. M1075 ◽  
Author(s):  
Hamad H. Al Mamari ◽  
Nasser Al Awaimri ◽  
Yousuf Al Lawati
Keyword(s):  
1H Nmr ◽  
Elemental Analysis ◽  
13C Nmr ◽  
Title Compound ◽  
Structural Motif ◽  
Spectroscopic Methods ◽  
Bond Functionalization ◽  
Directing Group ◽  
Metal Catalyzed

The title compound, N-benzo[c][1,2,5]thiazol-4-yl-3-trifluoromethylbenzamide (1) was synthesized by reacting 3-trifluoromethylbenzoyl chloride (4) and 4-aminobenzo[c][1,2,5]thiadiazole (5). The compound was characterized by various spectroscopic methods (1H NMR, 13C NMR, IR, GC-MS) and its composition confirmed by elemental analysis. The importance of this compound lies in its possession of an N,N-bidentate directing group. Such a structural motif is potentially suitable for metal-catalyzed C-H bond functionalization reactions.

scholarly journals 6-[1-Acetyl-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-3-yl]-2(3H)-benzoxazolone

Molbank ◽  
10.3390/m1021 ◽  
2018 ◽  
Vol 2018 (4) ◽  
pp. M1021
Author(s):  
Yordanka Ivanova ◽  
Antonya Todorova ◽  
Christo Chanev ◽  
Ognyan Petrov
Keyword(s):  
Acetic Acid ◽  
Hydrazine Hydrate ◽  
1H Nmr ◽  
Elemental Analysis ◽  
13C Nmr ◽  
Title Compound ◽  
Target Compound

The title compound, 6-[1-acetyl-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2(3H)-benzoxazolone, was synthesized by condensation of 6-[3-(4-methoxyphenyl)-2-propenoyl]-2(3H)-benzoxazolone (1) and hydrazine hydrate in acetic acid in 84% yield. The structure of the target compound was confirmed using 1H-NMR, 13C-NMR, IR, MS, and elemental analysis.

scholarly journals Poly[[tetramethanolbis[4-oxo-3-(pyridin-4-yl)-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-olato]disodium]–diethyl ether–methanol (1/1/2)]

IUCrData ◽  
2016 ◽  
Vol 1 (7) ◽  
Author(s):  
Bassam Abu Thaher ◽  
Dieter Schollmeyer ◽  
Stefan Laufer
Keyword(s):  
Diethyl Ether ◽  
Title Compound ◽  
Pyridine Ring ◽  
Heterocyclic Ring ◽  
Sodium Ion ◽  
Dihedral Angles ◽  
Ring Systems ◽  
Octahedral Environment

In the title compound, [Na2(C16H7Cl3N5O2)2(CH3OH)4]·C4H10O·2CH3OH, the central pyrazolo[3,4-d]pyrimidine system makes dihedral angles of 82.98 (7)° with the trichlorophenyl ring and 13.11 (15)° with the pyridine ring. The sodium ion has an octahedral environment, being coordinated by four methanol molecules and one O and one N atom of two different heterocyclic ring systems.

A monomeric N,N′-dilithiobis(amido)organophosphane

2006 ◽  
Vol 62 (7) ◽  
pp. m1560-m1561
Author(s):  
May C. Copsey ◽  
Tristram Chivers
Keyword(s):  
Diethyl Ether ◽  
Title Compound ◽  
Lithium Ions ◽  
Donor Solvent ◽  
Steric Constraints

The title compound [μ2-bis(2,6-diisopropylphenylamido)phenylphospaine]bis(diethyl ether)dilithium(I), [Li2(C30H39N2P)(C4H10O)2] or Li2(Et2O)2[PhP(NDipp)2] (Dipp = 2,6-diisopropylphenyl), has been structurally characterized. This is the first example of a monomeric N,N′-dilithiobis(amido)organophosphane. The steric constraints of the bulky diisopropylphenyl substituents bonded to the N atom and the solvation of the lithium ions by a donor solvent prevent the formation of a higher oligomer.

scholarly journals Crystal structure of (diethyl ether-κO)[5,10,15,20-tetrakis(2-isothiocyanatophenyl)porphyrinato-κ4 N]zinc diethyl ether solvate

2018 ◽  
Vol 74 (11) ◽  
pp. 1609-1612 ◽  
Author(s):  
Lisa Leben ◽  
Eike Schaub ◽  
Christian Näther ◽  
Rainer Herges
Keyword(s):  
Crystal Structure ◽  
Diethyl Ether ◽  
Metal Cation ◽  
Title Compound ◽  
Rotation Axis ◽  
Solvent Molecule ◽  
Apical Position ◽  
Picket Fence ◽  
Ether Molecule ◽  
Porphyrin Moiety

The crystal structure of the title compound, [Zn(C48H24N8S4)(C4H10O)]·C4H10O, consists of discrete porphyrin complexes that are located on a twofold rotation axis. The ZnII cation is fivefold coordinated by four N atoms of the porphyrin moiety and one O atom of a diethyl ether molecule in a slightly distorted square-pyramidal environment with the diethyl ether molecule in the apical position. The porphyrin backbone is nearly planar with the metal cation slightly shifted out of the plane towards the coordinating diethyl ether molecule. All four isothiocyanato groups of the phenyl substituents at the meso-positions face the same side of the porphyrin, as is characteristic for picket fence porphyrins. In the crystal structure, the discrete porphyrin complexes are arranged in such a way that cavities are formed in which additional diethyl ether solvate molecules are located around a twofold rotation axis. The O atom of the solvent molecule is not positioned exactly on the twofold rotation axis, thus making the whole molecule equally disordered over two symmetry-related positions.

scholarly journals Di-μ-chlorido-bis({4-[bis(trimethylsilyl)amino]-6-chloro-2,2,8,8-tetramethyl-5,7-bis(trimethylsilyl)-3,5,7-triaza-4,6-diphospha-2,8-disilanon-3-en-4-ido-κ2P,P′}palladium(II)) diethyl ether disolvate

IUCrData ◽  
2016 ◽  
Vol 1 (6) ◽  
Author(s):  
Martha Höhne ◽  
Bernd H. Müller ◽  
Anke Spannenberg ◽  
Uwe Rosenthal
Keyword(s):  
Dihedral Angle ◽  
Diethyl Ether ◽  
Title Compound ◽  
Palladium Complex ◽  
Solvent Molecule ◽  
The Novel ◽  
Bite Angle ◽  
Square Planar ◽  
Metal Catalyzed

The title compound, [Pd2(C18H54Cl2N4P2Si6)2Cl2]·2C4H10O, features a dinuclear chloride-bridged palladium complex bearing two equivalents of the novel monoanionic mixed valent (λ3-P)—N—(λ5-P) ligand. A metal catalyzed coupling of two aminoiminophosphines and a shift of one chlorine from the metal to the phosphorus results in the (λ3-P)—N—(λ5-P) ligand. The molecule contains a planar bimetallic Pd2Cl2core with a crystallographic centre of inversion at the mid-point of the Pd...Pd line. The Pd atoms are in a distorted square-planar arrangement, where the P/Pd/P and Cl/Pd/Cl planes are twisted with respect to each other by a dihedral angle of 7.57 (4)°. The P—Pd—P bite angle is 71.380 (18)°. Intramolecular C—H...Cl interactions are observed. In the crystal, the diethyl ether solvent molecule is disordered over two sites, with an occupancy ratio of 0.788 (5):0.212 (5).

scholarly journals Crystal structure of poly[μ-acetato-bis[μ-2-oxo-2-(quinolin-8-yl)ethanoato]trisodium]

2014 ◽  
Vol 70 (11) ◽  
pp. m385-m386
Author(s):  
Rachel L. Nicholls ◽  
Christopher M. Pask ◽  
Bao Nguyen
Keyword(s):  
Crystal Structure ◽  
Diethyl Ether ◽  
Title Compound ◽  
Octahedral Coordination ◽  
Coordination Geometry ◽  
Axis Direction ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral ◽  
Through Diffusion

The title compound [Na3(C11H6NO3)2(C2H3O2)]n, crystallized through diffusion of diethyl ether into methanol as needles. There are three crystallographically independent Na+cations present, each exhibiting a distorted octahedral coordination geometry, two through coordination by five O atoms and one N atom, and one through coordination by six O atoms. A series of intermolecular O...Na and N...Na contacts leads to the formation of chains along thea-axis direction.

scholarly journals AP212121polymorph of (+)-clusianone

2013 ◽  
Vol 69 (12) ◽  
pp. o1799-o1800
Author(s):  
Sree Vaneesa Nagalingam ◽  
Janet Wong Pik Ching ◽  
Mohammed Khaled bin Break ◽  
M. Ibrahim M. Tahir ◽  
Teng-Jin Khoo
Keyword(s):  
Hydrogen Bond ◽  
Melting Point ◽  
Structure Determination ◽  
Title Compound ◽  
Specific Rotation ◽  
Slow Evaporation ◽  
Orthorhombic Space Group ◽  
Acta Cryst ◽  
Space Group ◽  
Compound C

The title compound, C33H42O4[systematic name: (1S,5S,7R)-3-benzoyl-4-hydroxy-8,8-dimethyl-1,5,7-tris(3-methylbut-2-enyl)bicyclo[3.3.1]nona-3-ene-2,9-dione], has a central bicyclo[3.3.1]nonane-2,4,9-trione surrounded by tetraprenylated and benzoyl groups. The compound was recrystallized several times in methanol using both a slow evaporation method and with a crystal-seeding technique. This subsequently produced diffraction-quality crystals which crystallize in the orthorhombic space groupP212121, in contrast to a previous report of a structure determination in thePna21space group [McCandlishet al.(1976).Acta Cryst. B32, 1793–1801]. The title compound has a melting point of 365–366 K, and a specific rotation [α]20value of +51.94°. A strong intramolecular O—H...O hydrogen bond is noted. In the crystal, molecules are assembled in theabplane by weak C—H...O interactions.

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