Month: December 2022

Levoin, Nicolas published the artcileDetermination of the binding mode and interacting amino-acids for dibasic H3 receptor antagonists, Synthetic Route of 50670-76-3, the publication is Bioorganic & Medicinal Chemistry (2013), 21(15), 4526-4529, database is CAplus and MEDLINE.

Due to its involvement in major CNS functions, the histamine H3 receptor (H3R) is the subject of intensive medicinal chem. investigation, supported by the range of modern drug discovery tools, such as receptor modeling and ligand docking. Although the receptor models described to date share a majority of common traits, they display discrete alternatives in amino-acid conformation, rendering ligand binding modes quite different. Such variations impede structure-based drug design in the H3R field. In the present study, we used a combination of medicinal chem., receptor-guided and ligand-based methods to elucidate the binding mode of antagonists. The approaches converged towards a ligand orientation perpendicular to the membrane plane, bridging Glu206 of the transmembrane helix 5 to acidic amino acids of the extracellular loops. This consensus will help future structure-based drug design for H3R ligands.

Bioorganic & Medicinal Chemistry published new progress about 50670-76-3. 50670-76-3 belongs to esters-buliding-blocks, auxiliary class Benzene,Phenol,Ester, name is Ethyl 4′-hydroxy-[1,1′-biphenyl]-4-carboxylate, and the molecular formula is C15H14O3, Synthetic Route of 50670-76-3.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Balcerak, Alicja published the artcileNovel photoinitiators based on difluoroborate complexes of squaraine dyes for radical polymerization of acrylates upon visible light, Recommanded Product: Ethyl 4-dimethylaminobenzoate, the publication is Polymer Chemistry (2022), 13(2), 220-234, database is CAplus.

The present article describes the efficiency of novel two-component photoinitiators based on a typical squaraine dye and its difluoroborate analogs for the radical polymerization of acrylate monomers. The role of photosensitizers in photoinitiating systems was played by squaraine derivatives, such as 2,4- bis (3,5-dimethylpyrrol-2-yl)squaraine (PSQ1) and 2,4- bis (4-ethyl-3,5-dimethylpyrrol-2-yl)squaraine (PSQ2) and difluoroborate complexes of these compounds, such as BPSQ1 and BPSQ2, named BODIPY dyes. These dyes absorb radiation in visible region of the spectrum, from 400 nm to 600 nm and show high molar absorption coefficients of about 10⁵ dm³ mol^-1 cm^-1. Therefore, they may be used as sensitizers, e.g. in photopolymerization experiments The synthesized dyes were combined with various co-initiators and used as visible-light photoinitiators for the radical polymerization of 2-ethyl-2-(hydroxymethyl)-1,3-propanediol triacrylate (TMPTA). The proposed systems show different photoinitiation abilities, which are related to the structure of both sensitizer and co-initiator and the concentration of applied photoinitiator. Novel derivatives of squaric acid could be the starting point for the design of new photoinitiating systems for radical and cationic polymerization based on squaraine dyes.

Polymer Chemistry published new progress about 10287-53-3. 10287-53-3 belongs to esters-buliding-blocks, auxiliary class Amine,Benzene,Ester, name is Ethyl 4-dimethylaminobenzoate, and the molecular formula is C11H15NO2, Recommanded Product: Ethyl 4-dimethylaminobenzoate.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Otsu, Takayuki published the artcileLiving mono- and biradical polymerizations in homogeneous system synthesis of AB and ABA type block copolymers, Product Details of C12H17NS2, the publication is Polymer Bulletin (Berlin, Germany) (1984), 11(2), 135-42, database is CAplus.

To design the structure of the block copolymers by radical polymerization benzyl N,N-diethyldithiocarbamate (I) [3052-61-7] and P-xylylene N,N-diethyldithiocarbamate (II) [89964-93-2] were used as mono- and bifunctional photo-iniferters, resp., for the polymerizations of styrene and Me methacrylate. These polymerizations proceeded via a living radical mechanism. When the ratio of the concentration of the diethyldithiocarbamate group to that of a photo-iniferter mol. was kept constant, the yields of the polymers obtained by both I and II were identical, and their mol. weights(M) by II were 2 times as high as those by I. This observation strongly suggested that the polymerizations by I and II were performed by living mono- and biradical mechanisms, resp. By using the polymers obtained by I and II as polymeric photo-iniferters of the polymerization of second monomers, the AB and ABA-type block copolymers [25034-86-0] were obtained, resp.

Polymer Bulletin (Berlin, Germany) published new progress about 3052-61-7. 3052-61-7 belongs to esters-buliding-blocks, auxiliary class Amine,Benzene,Amide, name is Benzyl diethylcarbamodithioate, and the molecular formula is C12H17NS2, Product Details of C12H17NS2.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Otsu, Takayuki published the artcilePolymer design by iniferter technique in radical polymerization: synthesis of AB and ABA block copolymers containing random and alternating copolymer sequences, Synthetic Route of 3052-61-7, the publication is Polymer Journal (Tokyo, Japan) (1985), 17(1), 97-104, database is CAplus.

The iniferter (initiator-transfer agent-terminator) technique was applied to the synthesis of the AB and ABA block copolymers containing various random and alternating copolymer sequences. Monomeric photoiniferters used were of general formula Ar[CH₂SC(:S)NEt₂]_x [Ar = Ph, x = 1, (I) [3052-61-7]; Ar = 1,4-C₆H₄, x = 2, (II) [89964-93-2]; and Ar = 1,2,4,5-C₆H₂, x = 4, (III) [92687-20-2]]. Polymeric photoiniferters were prepared by photolysis of I, II, and III. The photopolymerizations with I and II proceeded via a living radical mechanism III and gave soluble mono- and bifunctional polymers, resp. However, III induced living radical polymerization of styrene with gelation. When various polymers and copolymers obtained by I and II were used as polymeric photoiniferters, the AB and ABA block copolymers containing random copolymer sequences were obtained in high yields. Similarly, the alternating copolymerization of iso-Bu vinyl ether with maleic anhydride in the presence of alternating copolymers (e.g., styrene and di-iso-Pr fumarate), which were obtained with I and II, as polymeric photoiniferters gave the AB and ABA block copolymers consisting of alternating copolymer sequences. III and the polymers and copolymers obtained by III could also act as an excellent crosslinking agent.

Polymer Journal (Tokyo, Japan) published new progress about 3052-61-7. 3052-61-7 belongs to esters-buliding-blocks, auxiliary class Amine,Benzene,Amide, name is Benzyl diethylcarbamodithioate, and the molecular formula is C12H17NS2, Synthetic Route of 3052-61-7.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Otsu, T. published the artcileLiving radical polymerization in homogeneous system by using iniferter: design of block copolymers, Synthetic Route of 3052-61-7, the publication is Journal of Macromolecular Science, Chemistry (1984), A21(8-9), 961-77, database is CAplus.

Benzyl N-ethyldithiocarbamate (I) [28249-01-6] and p-xylylene bis(N-ethyldithiocarbamate) (II) [93522-33-9] were prepared, and used as mono- and bifunctional photoiniferters, resp., of the polymerization of styrene and Me methacrylate. These photopolymerizations were performed via a living radical polymerization mechanism in a homogeneous system. The polymers obtained by I and II still contained 1 and 2 reactive N-ethyldithiocarbamate end groups, resp., bonded at their chain ends. When these polymers reacted with nucleophiles and Cu²⁺ the chain extension reactions occurring depended on their functionality. By using the polymers obtained by I and II as mono- and bifunctional polymeric photoiniferters, AB and ABA block copolymers were also obtained, resp. Similar results were obtained by using benzyl N,N-diethyldithiocarbamate  [3052-61-7] and p-xylylene bis(N,N-diethyldithiocarbamate) [89964-93-2] as mono- and bifunctional photoiniferters, resp. These results were also compared and discussed.

Journal of Macromolecular Science, Chemistry published new progress about 3052-61-7. 3052-61-7 belongs to esters-buliding-blocks, auxiliary class Amine,Benzene,Amide, name is Benzyl diethylcarbamodithioate, and the molecular formula is C12H17NS2, Synthetic Route of 3052-61-7.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Itobe, Takafumi published the artcileNew Factor Characterizing the In-Mouth Release of Odorants (Volatile Thiols): Compositional Changes in Odorants Exhaled from the Human Nose during Drinking, Synthetic Route of 19788-49-9, the publication is Journal of Agricultural and Food Chemistry (2009), 57(23), 11297-11301, database is CAplus and MEDLINE.

The aim of this research was to investigate the relationship between the odorants in the model drink and the odorants reaching the olfactory epithelium using the Retronasal Flavor Impression Screening System (R-FISS). By application of the R-FISS to the odorants in the model drink, it was found that a methylthio ether [1-methoxy-3-methyl-3-(methylthio)butane] was detected with the original volatile thiol (4-methoxy-2-methyl-2-mercaptobutane) in the air exhaled through the nostrils via the nasal cavity after the model drink (including the original thiol) had been swallowed. In addition, this phenomenon was also observed in other volatile thiols (furfuryl mercaptan, Et 2-mercaptopropionate, 2-methyl-1-mercaptobutane, and 4-mercapto-4-methyl-2-pentanone). These compositional changes in thiols that were observed in the air exhaled through the nostrils could be affected by the chem. structure of each tested thiol and individual differences. These results pointed to a possibility that the odorants reaching the olfactory receptor via the throat during consumption of foods could not always retain their original chem. structures and compositions in foodstuffs. Therefore, the characteristic odor of volatile thiols might be perceived due to the stimuli of multiple compounds To understand in detail flavor perception during the consumption of foods, not only the compositions or amounts of odorants in foodstuffs but also the compositional changes in odorants induced by biol. reactions (reduction or methylation) need to be taken into consideration.

Journal of Agricultural and Food Chemistry published new progress about 19788-49-9. 19788-49-9 belongs to esters-buliding-blocks, auxiliary class Thiol,Aliphatic hydrocarbon chain,Ester, name is Ethyl 2-mercaptopropanoate, and the molecular formula is C5H10O2S, Synthetic Route of 19788-49-9.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Mathiyazhagan, Kasinathan published the artcileIsolation of Natural Naphthoquinones from Juglans regia and In Vitro Antioxidant and Cytotoxic Studies of Naphthoquinones and the Synthetic Naphthofuran Derivatives, SDS of cas: 924-99-2, the publication is Russian Journal of Bioorganic Chemistry (2018), 44(3), 346-353, database is CAplus.

The naphthoquinones and their derivatives containing hydroxyl group exhibit wide range of pharmacol. activities, such as antioxidant, antibacterial, antiviral, anticancer, antimalarial, and antifungal activities. In particular, the antioxidant and anticancer behaviors of these compounds continue to draw attention of researchers. In the present communication, three natural naphthoquinones-juglone, lawsone, and plumbagin-isolated from the chloroform extract of nutshells of Juglans regia Linn. and two 1,4-naphthoquinone derivatives-ethyl-5-hydroxynaphtho[ 1,2-b]furan-3-carboxylate and diethylnaphtho[1,2-b:4,3-b′]difuran-3,4-dicarboxylate-and three 5-hydroxy- 1,4-naphthoquinone derivatives-diethyl-7-hydroxynaphtho[1,2-b:4,3-b′]difuran-3,4-dicarboxylate,4-ethoxycarbonyl- 7-hydroxynaphtho[1,2-b:4,3-b′]difuran-3-carboxylic acid, and 7-hydroxynaphtho[1,2-b:4,3-b′]difuran-3,4- dicarboxylic acid were synthesized and examined for their in vitro antioxidant activity using 2,2-diphenyl-1-picrylhydrazyl (DPPH) and 2,2′-azino-bis-3-ethylbenzthiazoline-6-sulfonic acid (ABTS) bioassays. The 5-hydroxy-1,4-naphthoquinone derivatives displayed almost equivalent scavenging activity in DPPH assay and higher activity in ABTS assay relative to ascorbic acid. On the other hand, naphthoquinones Juglone and Plumbagin showed lesser antioxidant activity, but higher cytotoxic activity than naphthofurans except for di-Et naphtho[1,2-b:4,3-b′]difuran-3,4-dicarboxylate, which showed excellent cytotoxic activity.

Russian Journal of Bioorganic Chemistry published new progress about 924-99-2. 924-99-2 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Amine,Aliphatic hydrocarbon chain,Ester, name is Ethyl 3-(dimethylamino)acrylate, and the molecular formula is C7H13NO2, SDS of cas: 924-99-2.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Nasir, Naila published the artcileEffect of the Photoinitiator Concentration on the Electro-optical Properties of Thiol-Acrylate-Based PDLC Smart Windows, Related Products of esters-buliding-blocks, the publication is ACS Applied Energy Materials (2022), 5(6), 6986-6995, database is CAplus.

Polymer-dispersed liquid crystals (PDLCs), an indispensable class of elec. switchable materials, where nano- or microsized liquid crystal (LC) droplets are phase-separated from the polymer matrix, have been widely used in the fabrication of highly efficient and systematic smart windows. In this paper, we explored the effect of the photoinitiator concentration on the morphol. and electro-optical properties of PDLC films based on thiol and acrylates. We prepared PDLC films using various concentrations of the photoinitiator, while keeping the concentrations of LC and monomers constant We observed that the concentration of the photoinitiator directly influences the phase separation process, which in turn determines the morphol. and electro-optical characteristics of the PDLC film. Thus, an optimized amount of the photoinitiator is required to prepare PDLC films with high transmittance and low switching time, haze, and power consumption. The optimized photoinitiator concentration can have a transmittance ΔT (difference between on- and off-state transmittances) of >85% at a low driving voltage.

ACS Applied Energy Materials published new progress about 15625-89-5. 15625-89-5 belongs to esters-buliding-blocks, auxiliary class Polymerization Reagents,Crosslinkers, name is Trimethylolpropane triacrylate, and the molecular formula is C15H20O6, Related Products of esters-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Sen, Anirban published the artcileMechanistically Guided One Pot Synthesis of Phosphine-Phosphite and Its Implication in Asymmetric Hydrogenation, Related Products of esters-buliding-blocks, the publication is European Journal of Organic Chemistry (2022), 2022(2), e202101447, database is CAplus.

Although hybrid bidentate ligands are known to yield highly enantioselective products in asym. hydrogenation (AH), synthesis of these ligands is an arduous process. Herein, a one pot, atom-economic synthesis of a hybrid phosphine-phosphite (L1) is reported. After understanding the reactivity difference between an O-nucleophile vs. C-nucleophile, one pot synthesis of Senphos (L1) was achieved (72%). When L1 was treated with [Rh], ³¹P NMR revealed bidentate coordination to Rh. Senphos, in the presence of rhodium, catalyzes the AH of Methyl-2-acetamido-3-phenylacrylate and discloses an unprecedented turn over frequency of 2289, along with excellent enantio-selectivity (92%). The generality is demonstrated by hydrogenating an array of alkenes. The AH operates under mild conditions of 1-2 bar H₂ pressure, at room temperature The practical relevance of L1 is demonstrated by scaling-up the reaction to 1 g and by synthesizing DOPA, a drug widely employed for the treatment of Parkinson’s disease. Computational insights indicate that the R isomer is preferred by 3.8 kcal/mol over the S isomer.

European Journal of Organic Chemistry published new progress about 617-52-7. 617-52-7 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Aliphatic hydrocarbon chain,Ester, name is Dimethyl itaconate, and the molecular formula is C12H15NO, Related Products of esters-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Melkar, Ashwith published the artcileEffect of antiblock and slip additives on the properties of tubular quenched polypropylene film, SDS of cas: 31570-04-4, the publication is Journal of Polymer Engineering (2022), 42(2), 100-108, database is CAplus.

In the present investigation, silica and talc were used as antiblock additives with slip additive to investigate their effects on tubular quenched polypropylene (TQPP) film properties. Polypropylene (PP) powder was compounded with additives in twin-screw extruder and subsequently processed through TQPP machine to prepare the films. Tear and tensile properties [in machine direction (MD) and transverse direction (TD)] and surface properties of the produced TQPP films were investigated in terms of optics and coefficient of friction (CoF). The effect of conditioning time on CoF was also studied. Addition of slip agent alone to PP did not show any significant change in tear strength, CoF and tensile properties, whereas CoF reduced drastically by adding both slip and antiblock agents in combination. Reduction in CoF values were found to be more pronounced in the presence of silica-based antiblock compared to talc-based antiblock. Film surface morphol. was further examined by field-emission SEM. The tear strength and the gloss of TQPP film decreased slightly in presence of only antiblock agents, but the tensile strength was found to increase. It was also found that tensile properties of TQPP films were superior in silica-based formulation, whereas tear strength was better in talc-based formulation in MD and TD.

Journal of Polymer Engineering published new progress about 31570-04-4. 31570-04-4 belongs to esters-buliding-blocks, auxiliary class Mono-phosphine Ligands, name is Tris(2,4-di-tert-butylphenyl) phosphite, and the molecular formula is C42H63O3P, SDS of cas: 31570-04-4.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics