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.

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 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.

scholarly journals N-(2-(1H-Indol-3-yl)ethyl)-2-(6-methoxynaphthalen-2-yl)propanamide

Molbank ◽  
10.3390/m1187 ◽  
2021 ◽  
Vol 2021 (1) ◽  
pp. M1187
Author(s):  
Stanimir Manolov ◽  
Iliyan Ivanov ◽  
Dimitar Bojilov
Keyword(s):  
Spectral Data ◽  
13C Nmr ◽  
Title Compound ◽  
High Yield ◽  
Mass Spectral Data ◽  
Mass Spectral

The title compound was obtained in high yield in the reaction between tryptamine and naproxen. The newly synthesized naproxen derivative was fully analyzed and characterized via 1H, 13C-NMR, UV, IR, and mass spectral data.

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.

Structural studies of organoboron compounds. LIII. N,N-Diethylhydroxylamine-(O-B)1,7-dimethyl-3,5-diphenyl-2,4,6-trioxa-7-aza-1-azonia-3-bora-5- boratabicyclo[3.3.0]octane

1992 ◽  
Vol 70 (7) ◽  
pp. 2022-2026 ◽  
Author(s):  
Wolfgang Kliegel ◽  
Gottfried Lubkowitz ◽  
Steven J. Rettig ◽  
James Trotter
Keyword(s):  
Hydrogen Bond ◽  
Least Squares ◽  
Title Compound ◽  
Condensation Product ◽  
Phenylboronic Acid ◽  
Direct Methods ◽  
High Yield ◽  
Structural Studies ◽  
Full Matrix ◽  
Bond Lengths

Reaction of the condensation product of N,N′-dimethyl-N,N′-dihydroxymethanediamine and phenylboronic acid with N,N-diethylhydroxylamine gives N,N-diethylhydroxylamine(O-B)1,7-dimethyl-3,5-diphenyl-2,4,6-trioxa-7-aza-1-azonia-3-bora-5-boratabicyclo[3.3.0]octane [3-(2-ethyl-1-oxa-2-azoniabutyl)-1,7-dimethyl-3,5-diphenyl-2,4,6-trioxa-7-aza-1-azonia-3,5-diboratabicyclo[3.3.0]octane, 3] in high yield. Crystals of 3 are orthorhombic, a = 11.8132(11), b = 15.4768(11), c = 11.7325(16) Å, Z = 4, space group P212121. The structure was solved by direct methods and was refined by full-matrix least-squares procedures to R = 0.039 and Rw = 0.044 for 1729 reflections with I ≥ 2σ(I). The title compound is the second example of this recently characterized class of O-B coordinated hydroxylamine complexes, stabilized by an intramolecular [Formula: see text] hydrogen bond [Formula: see text]. Bond lengths about boron are: B—O(N) = 1.482(4)–1.526(4), B—O(B) = 1.412(4) and 1.420(4), B—N = 1.712(4), B—C = 1.591(5) and 1.602(5) Å.

Three-component one-pot reaction for the synthesis of β-amide ketones

2013 ◽  
Vol 67 (5) ◽  
Author(s):  
Yan-Ping Luo ◽  
Qiong Chen
Keyword(s):  
Acetic Acid ◽  
1H Nmr ◽  
Elemental Analysis ◽  
13C Nmr ◽  
Trifluoroacetic Acid ◽  
Title Compound ◽  
Anhydrous Acetonitrile ◽  
One Pot

Abstractβ-amide ketones were synthesised by a three-component one-pot reaction of phenylacetylene, aldehydes, and amides in anhydrous acetonitrile containing trifluoroacetic acid and acetic acid in the presence of AlCl3 catalyst. The title compound structures were identified by 1H NMR, 13C NMR, MS, and elemental analysis.

Synthesis of Anti-Cancer Targeted Therapies Drug Tivozanib

2011 ◽  
Vol 396-398 ◽  
pp. 1490-1492
Author(s):  
Ming Xing Liu ◽  
Li Xiu Hu ◽  
Xian Wen Wang ◽  
Hong Da Zhu
Keyword(s):  
1H Nmr ◽  
Targeted Therapies ◽  
Industrial Production ◽  
Raw Materials ◽  
Condensation Reaction ◽  
High Yield ◽  
Reaction Conditions ◽  
Synthetic Compounds ◽  
Anti Cancer ◽  
Ft Ir

Tivozanib was synthesized through the cyclization, chlorinated, condensation reaction with 2-amino-4,5-dimethoxy acetophenone as the starting material. All synthetic compounds were analyzed by FT-IR, 1H-NMR, MS and HPLC. The purity of tivozanib was more than 98.5%. Synthetic routs and methods of tivozanib are feasible to industrial production owing to the cheap raw materials, mild reaction conditions, stable technology and high yield.

Structural studies of organoboron compounds. XXV. Synthesis and structure of (maltolato)diphenylboron

1987 ◽  
Vol 65 (3) ◽  
pp. 590-594 ◽  
Author(s):  
Chris Orvig ◽  
Steven J. Rettig ◽  
James Trotter
Keyword(s):  
Least Squares ◽  
Title Compound ◽  
Spectroscopic Data ◽  
Direct Methods ◽  
High Yield ◽  
Structural Studies ◽  
Full Matrix ◽  
Space Group ◽  
Envelope Conformation ◽  
Weak Binding

The reaction of maltol (3-hydroxy-2-methyl-4-pyrone) with diphenylborinic acid affords a high yield of the title compound. Crystals of (maltolato)diphenylboron are monoclinic, a = 14.3481(6), b = 8.3994(3), c = 12.6657(5) Å, β = 100.892(4)°, Z = 4, space group P21/n. The structure was solved by direct methods and was refined by full-matrix least-squares procedures to R = 0.041 and Rw = 0.052 for 2052 reflections with I ≥ 3σ(1). The molecule contains a five-membered C2O2B ring having a flattened B-envelope conformation, the B atom being displaced 0.081(2) Å from the C2O2 plane. Structural and spectroscopic data are consistent with weak binding of the maltolate oxygen atoms to boron. Bond distances (corrected for libration) are O—B = 1.533(2) and 1.600(3), B—C = 1.600(3) and 1.605(3) Å.

scholarly journals Crystal structure of (S)-2-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-methoxy-N-methylpropanamide (Fernholz Weinreb amide)

2015 ◽  
Vol 71 (3) ◽  
pp. 275-277 ◽  
Author(s):  
Elvar Ørn Viktorsson ◽  
Ove Alexander Høgmoen Åstrand ◽  
Rasha Sabah Haseeb ◽  
Carl Henrik Görbitz ◽  
Pål Rongved
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
High Yield ◽  
Carbonyl Groups ◽  
Asymmetric Unit ◽  
Synthetic Pathway ◽  
Compound C ◽  
Weinreb Amide ◽  
Important Intermediate

The literature compound 3β-hydroxy-bisnor-5-cholenic aldehyde is an important intermediate for the synthesis of new modulators of the nuclear oxysterol receptor LiverX. As part of our ongoing search for new LXR antagonists, the title compound, C24H39NO3, has proven to be an important intermediate in our new synthetic pathway, giving the corresponding aldehyde in high yield and in only three steps from the commercially available 3β-hydroxy-bisnor-5-cholenic acid. The title amide crystallized with two molecules in the asymmetric unit, linked into helices by O—H...O hydrogen bonds involving the hydroxy and carbonyl groups.

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