Category: 112-63-0

Al-Taie, Zahraa S.; Bartholomew, Barbara; Cartmell, Christopher; Froom, Richard T.; Kerr, Russell G.; Kraehenbuehl, Rolf; Murphy, Patrick J.; Nash, Robert J.; Penkova, Yana B.; van Teijlingen, Alexander published the artcile< Synthesis of (+)-(R)-Tiruchanduramine>, Formula: C19H34O2, the main research area is tiruchanduramine total synthesis; Synoicum macroglossum; guanidines; tiruchanduramine; β-carboline.

The absolute stereochem. of the marine alkaloid (+)-(R)-tiruchanduramine was established via a convergent total synthesis in six steps and 15.5% overall yield from Fmoc-D-Dab(Boc)-OH.

Molecules published new progress about Alkaloids Role: SPN (Synthetic Preparation), PREP (Preparation). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Formula: C19H34O2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Wilk, Magdalena; Jarzembska, Katarzyna N.; Janczak, Jan; Hoffmann, Jozef; Videnova-Adrabinska, Veneta published the artcile< Synthesis, crystal structure and computational studies of 4-nitrobenzylphosphonic acid>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is synthesis crystal structure nitrobenzylphosphonic acid IR Raman spectra.

4-Nitrobenzylphosphonic acid (1a) has been synthesized and structurally characterized by vibrational spectroscopy (IR and Raman) and single-crystal X-ray diffraction. Addnl., Hirshfeld surface anal. and computational methods have been used to compare the intermol. interactions in the crystal structures of 1a and its carboxylic analog, 4-nitrobenzylcarboxylic acid (4-NBCA). The crystal structure anal. of 1a has revealed that the acid mols. are extended into helical chains along the b axis using one of the hydrogen bonds established between phosphonic groups. The second (P)O-H···O(P) hydrogen bond cross-links the inversion-related chains to form a thick monolayer with phosphonic groups arranged inwards and aromatic rings outwards. The nitro groups serve to link the neighboring monolayers by weak C-H···O(N) hydrogen bonds. Computations have confirmed the great contribution of electrostatic interactions for the crystal lattice stability. The cohesive energy, computed for the crystal structure of 1a exceeds 200 kJ mol-1 in magnitude and is nearly twice as large as that of 4-NBCA. The calculated cohesive energy values have been further related to the results of thermal analyses.

Journal of Molecular Structure published new progress about Cohesive energy. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Spinks, Daniel; Smith, Victoria; Thompson, Stephen; Robinson, David A.; Luksch, Torsten; Smith, Alasdair; Torrie, Leah S.; McElroy, Stuart; Stojanovski, Laste; Norval, Suzanne; Collie, Iain T.; Hallyburton, Irene; Rao, Bhavya; Brand, Stephen; Brenk, Ruth; Frearson, Julie A.; Read, Kevin D.; Wyatt, Paul G.; Gilbert, Ian H. published the artcile< Development of Small-Molecule Trypanosoma brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode>, Synthetic Route of 112-63-0, the main research area is Trypanosoma myristoyltransferase inhibitor trypanosomiasis trypanosomicide; crystal structure; N-myristoyltransferase; Trypanosoma brucei; human African trypanosomiasis (HAT); medicinal chemistry; structure-based drug design.

The enzyme N-myristoyltransferase (NMT) from Trypanosoma brucei has been validated both chem. and biol. as a potential drug target for human African trypanosomiasis. The authors previously reported the development of some very potent compounds based around a pyrazole sulfonamide series, derived from a high-throughput screen. Herein the authors describe work around thiazolidinone and benzomorpholine scaffolds that were also identified in the screen. An x-ray crystal structure of the thiazolidinone hit in Leishmania major NMT showed the compound bound in the previously reported active site, utilizing a novel binding mode. This provides potential for further optimization. The benzomorpholinone was also found to bind in a similar region. Using an x-ray crystallog./structure-based design approach, the benzomorpholinone series was further optimized, increasing activity against T. brucei NMT by >1000-fold. A series of trypanocidal compounds were identified with suitable in vitro DMPK properties, including CNS exposure for further development. Further work is required to increase selectivity over the human NMT isoform and activity against T. brucei.

ChemMedChem published new progress about Crystal structure. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Synthetic Route of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Nekipelova, T. D.; Lygo, O. N.; Khodot, E. N.; Kuzmin, V. A.; Shakhmatov, V. V.; Vargin, V. V.; Belyakova, A. V.; Zyl’kova, M. V. published the artcile< Spectral and kinetic parameters of the triplet state of 7,7,9-trimethyl-6,7-dihydrofuro[3,2-f]quinoline>, Application of C19H34O2, the main research area is triplet state yield trimethyl dihydrofuroquinoline laser flash photolysis; PUVA therapy DNA thymine base.

The spectral and kinetic properties of the transient species generated in the photolysis of 7,7,9-trimethyl-6,7-dihydrofuro[3,2-f]quinoline (FDHQ) in the absence of oxygen have been studied by lamp and laser flash photolysis. The triplet origin of the short-lived transient species that absorbs in the range of 600-750 nm has been established in experiments with a donor and an acceptor of triplet energy. The rate constants of triplet-triplet annihilation and the interaction of the FDHQ triplet with oxygen (1010 L mol-1 s-1) have been estimated

High Energy Chemistry published new progress about Electronic energy transfer (triplet-state). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Application of C19H34O2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Cao, Zhong-Yan; Zhao, Yu-Lei; Zhou, Jian published the artcile< Sequential Au(I)/chiral tertiary amine catalysis: a tandem C-H functionalization of anisoles or a thiophene/asymmetric Michael addition sequence to quaternary oxindoles>, Product Details of C19H34O2, the main research area is diazooxindole anisole diazooxindole gold chiral amine tandem Michael addition; quaternary oxindole enantioselective diastereoselective preparation.

An unprecedented sequential Au(I)/bifunctional tertiary amine catalysis was reported, which enabled a tandem C-H functionalization of weak nucleophiles (anisoles or thiophenes) and asym. Michael addition for the highly enantioselective synthesis of quaternary oxindoles from diazooxindoles and nitroenynes.

Chemical Communications (Cambridge, United Kingdom) published new progress about Alkenynes Role: RCT (Reactant), RACT (Reactant or Reagent) (nitro). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Product Details of C19H34O2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Mala, Zaneta A.; Janicki, Mikolaj J.; Niedzwiecka, Natalia H.; Gora, Robert W.; Konieczny, Krzysztof A.; Kowalczyk, Rafal published the artcile< Stereoselectivity Enhancement During the Generation of Three Contiguous Stereocenters in Tetrahydrothiophenes>, Application of C19H34O2, the main research area is enantioselective diastereoselective sulfa Michael intramol aldol cascade mercaptoacetaldehyde enynone; thiophene tetrahydro enantioselective diastereoselective synthesis.

Application of carefully designed Cinchona alkaloid based squaramides resulted in the formation of three contiguous stereocenters in enantio- and diastereoselective Sulfa-Michael/intramol. aldol reactions cascade [e.g., I + II → III (62%, 96% ee, 20:1 d.r.)]. Increase of the temperature to 333 K in reaction of mercaptoacetic aldehyde and various en-ynones allowed the rise of the reaction rate while not affecting the enantioselectivity nor diastereoselectivity. Stereoselectivity was dependent on the structure of the hydrogen-bonding unit, thus revealing the importance of weak interactions in the formation of the multifunctional tetrahydrothiophenes. Kohn-Sham D. Functional Theory results suggest that a perfect fit of the electrophile and squaramide via tailored (+)N-H hydrogen bonding and π-π stacking interactions were the main factors of the chirality transfer.

ChemCatChem published new progress about Aldol addition, stereoselective (intramol.). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Application of C19H34O2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Jiang, Xiao; Zhao, Na; Li, Zhibo published the artcile< Stereoselective Ring-Opening Polymerization of rac-Lactide Catalyzed by Squaramide Derived Organocatalysts at Room Temperature>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is lactide stereoselective squaramide organocatalyst ring opening polymerization.

Substantial progresses have been made toward the development of metal-free catalysts for stereoselective ring-opening polymerization (ROP) of rac-lactide. Yet the discovery of organic catalysts effective at ambient temperature remains a major challenge. Here, the bifunctional H-bonding catalyst SQ-1 containing a basic tertiary amine and squaramide motif proved to be good candidate for the stereoselective ROP of rac-lactide at room temperature, yielding stereoregular polylactide with controlled mol. weights (up to 21.1 kg/mol) and high tacticity (PiESC up to 0.88). Furthermore, binary H-bonding catalytic system consisting of squaramides (SQ-2 to SQ-6) and 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) could efficiently promote the ROP of rac-lactide at room temperature within short reaction time. Among them, the most bulky squaramide SQ-2 exhibited the best stereoselectivity towards the ROP of rac-lactide without transesterification side reactions during the polymerization process. The resulting polylactides were proved to have controlled mol. weights as high as 22.2 kg/mol and narrow distributions (1.10-1.24).

Chinese Journal of Chemistry published new progress about Glass transition temperature. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Meglaa, Botros; Tawfik, Magda; Morsy, Fatma; Elsherbiny, Samya; Essawy, Hisham published the artcile< Hyperbranched additive into a high solid acrylate coating for automotive application: impact on performance and emission of volatile organic content>, Electric Literature of 112-63-0, the main research area is hyperbranched additive acrylate automotive coating impact performance; emission volatile organic content.

Automotive coating materials are very important items for this industry. However, their performance is limited by the use of excessive amounts of solvents in their formulations, whereas the emission of volatile organic solvents is against the widely ascending principle of green chem. Thus, this study aims to overcome this global problem to save the environment without affecting the properties and performance of the coating. Design/methodol./approach: High solid content paint formulation for automotive applications has been designed with low amount of volatile organic solvents with the aid of a functionalized hyperbranched modifier. Findings: It was found that the presence of a hyperbranched additive allows a high solid content to be designed and facilitate the processing, which indicates its liability to compensate the role played by excessive solvents amounts In addition, the mech. properties and phys. characteristics of the modified coatings showed outstanding performance and preservation of clarity in comparison with the com. counterparts. Practical implications: A high solid content coating with facile processing and improved performance leads to cheaper price beside the pos. impact on the environment considering the limited emission of volatile organic contents. Social implications: Limitation of the used volatile organic compounds in any industry helps to save the health of humans and keep the environment unaffected. Originality/value: The use of functionalized hyperbranched additive to automotive coatings is a very promising additive for automotive coatings with optimized characteristics.

Pigment & Resin Technology published new progress about Acrylic polymers, epoxy-polyester-polyurethane- Role: POF (Polymer in Formulation), PRP (Properties), SPN (Synthetic Preparation), TEM (Technical or Engineered Material Use), USES (Uses), PREP (Preparation). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Electric Literature of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M. published the artcile< Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is decarboxylative amination redox active ester diazirine reagent.

The ubiquity of nitrogen-containing small mols. in medicine necessitates the continued search for improved methods for C-N bond formation. Electrophilic amination often requires a disparate toolkit of reagents whose selection depends on the specific structure and functionality of the substrate to be aminated. Further, many of these reagents are challenging to handle, engage in undesired side reactions, and function only within a narrow scope. Here, we report the use of diazirines as practical reagents for the decarboxylative amination of simple and complex redox-active esters. The diaziridines thus produced are readily diversifiable to amines, hydrazines, and nitrogen-containing heterocycles in one step. The reaction has also been applied in fluorous phase synthesis with a perfluorinated diazirine.

Journal of the American Chemical Society published new progress about Amination (decarboxylative). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Reddy, N. J.; Sharma, T. C. published the artcile< Synthesis and reduction of 3-bromoflavanones>, Computed Properties of 112-63-0, the main research area is flavanone bromination; reduction bromoflavanone thiourea; debromination bromoflavanone thiourea.

Bromination of flavanones (I; R1, R2, R3 = H, H, H; H, H, Me; OMe, H, Me; OMe, OMe, Me) with pyridinium tribromide in AcOH give the corresponding 3-bromoflavanones II, which, when refluxed with thiourea in ethanol, undergo reduction to regenerate I.

Bulletin of the Chemical Society of Japan published new progress about Bromination. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Computed Properties of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics