Category: Uncategorized

New Arylpiperazines with Flexible versus Partly Constrained Linker as Serotonin 5-HT_1A/5-HT₇ Receptor Ligands was written by Kowalski, Piotr;Mitka, Katarzyna;Jaskowska, Jolanta;Duszynska, Beata;Bojarski, Andrzej J.. And the article was included in Archiv der Pharmazie (Weinheim, Germany) in 2013.Computed Properties of C13H14BrNO2 This article mentions the following:

A series of new long-chain arylpiperazine (LCAP) derivatives with flexible and partly constrained alkyl linker were synthesized and investigated in vitro as potential serotonin 5-HT_1A and 5-HT₇ receptor ligands. The compounds were prepared by a two-step procedure using naphthalimide and 2H-1,3-benzoxazine-2,4(3H)-dione as imides, and 1-(2-methoxyphenyl)piperazine (o-OMe-PhP) and 1,2,3,4-tetrahydroisoquinoline (THIQ) as amine pharmacophores. Modifications of the spacer structure included introduction of flexible penta- and hexamethylene chains as well as partly constrained m- and p-xylyl moieties. In general, the new compounds were more active at the 5-HT_1A than at the 5-HT₇ receptor, and the o-OMe-PhP derivatives displayed higher affinities than their resp. THIQ analogs. The spacer modifications had little effect on the observed in vitro activities. Within the o-OMe-PhP series, except for a small binding reduction for ligands containing the m-xylyl moiety, there was no substantial change in the compounds’ potency at both receptors, while for the THIQ derivatives a clear structure-activity relationship was visible only for the interaction of the compounds with the 5-HT₇ receptor, which strongly favored flexible analogs. In the experiment, the researchers used many compounds, for example, N-(5-Bromopentyl)phthalimide (cas: 954-81-4Computed Properties of C13H14BrNO2).

N-(5-Bromopentyl)phthalimide (cas: 954-81-4) belongs to organobromine compounds. A variety of minor organobromine compounds are found in nature, but none are biosynthesized or required by mammals. Organobromine compounds have fallen under increased scrutiny for their environmental impact. The reactivity of organobromine compounds resembles but is intermediate between the reactivity of organochlorine and organoiodine compounds. For many applications, organobromides represent a compromise of reactivity and cost.Computed Properties of C13H14BrNO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Fluorogenic probes to monitor cytosolic phospholipase A₂ activity was written by Ng, Cheng Yang;Kwok, Timothy Xiong Wei;Tan, Francis Chee Kuan;Low, Chian-Ming;Lam, Yulin. And the article was included in Chemical Communications (Cambridge, United Kingdom) in 2017.Application of 56523-59-2 This article mentions the following:

Arachidonic acid derivatives equipped with either one or two fluorescent groups attached to the tip of the alkyl chains were synthesized and shown to function as inhibitor and substrate probes of cPLA₂. The inhibitor probe was demonstrated to perform dual functions of inhibition and imaging while the substrate probe could be used for activity assay. In the experiment, the researchers used many compounds, for example, 15-Bromopentadecanoic acid (cas: 56523-59-2Application of 56523-59-2).

15-Bromopentadecanoic acid (cas: 56523-59-2) belongs to organobromine compounds. Most organobromine compounds, like most organohalide compounds, are relatively nonpolar. Bromine-containing agents predominate because not only are they more efficient than similar chlorine-containing species, but also the high atomic weight of bromine ensures that it is present in a high mass fraction within most organobromine compounds.Application of 56523-59-2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Quantitative structure-property relationship study of β-cyclodextrin complexation free energies of organic compounds was written by Xu, Qi;Wei, Chengzhuo;Liu, Ruina;Gu, Shaojin;Xu, Jie. And the article was included in Chemometrics and Intelligent Laboratory Systems in 2015.Safety of 3-Bromophenyl acetate This article mentions the following:

A quant. structure-property relationship (QSPR) study was performed between β-cyclodextrin complexation free energies and descriptors representing the mol. structures of organic guest compounds The entire set of 218 compounds was divided into a training set of 160 compounds and a test set of 58 compounds by DUPLEX algorithm. Multiple linear regression (MLR) anal. was used to select the best subset of descriptors and to build linear models; while nonlinear models were developed with artificial neural network (ANN). The obtained models with seven descriptors involved show good predictive power for the test set: a squared correlation coefficient (r²) of 0.833 and mean absolute error (MAE) of 1.911 was achieved by the MLR model; while the ANN model performed better than the MLR model, with r² of 0.957 and MAE of 0.925 for the test set. In addition, the applicability domain of the models was analyzed based on the Williams plot. In the experiment, the researchers used many compounds, for example, 3-Bromophenyl acetate (cas: 35065-86-2Safety of 3-Bromophenyl acetate).

3-Bromophenyl acetate (cas: 35065-86-2) belongs to organobromine compounds. Many of the organo bromine compounds are relatively nonpolar. Bromine is more electronegative than carbon (2.8 vs 2.5) and hence the carbon in a carbon–bromine bond is electrophilic in nature. One prominent application of synthetic organobromine compounds is the use of polybrominated diphenyl ethers as fire-retardants, and in fact fire-retardant manufacture is currently the major industrial use of the element bromine.Safety of 3-Bromophenyl acetate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Song, Jinming published the artcileReversible Multilevel Stimuli-Responsiveness and Multicolor Room-Temperature Phosphorescence Emission Based on a Single-Component System, Recommanded Product: 1-Bromooctane, the publication is Angewandte Chemie, International Edition (2022), 61(29), e202206157, database is CAplus and MEDLINE.

There are limited reports about the transformation of pure organic room-temperature phosphorescence (RTP) materials with multilevel stimuli-responsiveness at different RTP emission wavelengths under external stimuli. It is difficult to ensure efficient intersystem crossing (ISC) in different states of a single-component system. This research reports the conversion of the organic single-component small mol. 1,2-bis(4-alkoxyphenyl)ethane-1,2-dione (N-BOX) with multilevel stimuli-responsiveness between high-efficiency blue and yellow RTP by grinding or thermal annealing N-BOX crystals. The RTP emission of N-BOX in the crystalline state was easy to adjust by external stimuli (grinding or thermal annealing) due to its non-compact packing, which led to a phase transition and generated unique multilevel stimuli-responsiveness. In particular, the RTP quantum yield of 7-BOX with multilevel stimuli-responsiveness reached 68.4%, which provides an opportunity for regulation of smart optical materials based on pure organic RTP.

Angewandte Chemie, International Edition published new progress about 111-83-1. 111-83-1 belongs to bromides-buliding-blocks, auxiliary class Bromide,Aliphatic hydrocarbon chain, name is 1-Bromooctane, and the molecular formula is C12H14O2, Recommanded Product: 1-Bromooctane.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Saraswathi, Sajena K. published the artcileThymine-Induced Dynamic Switching of Self-Assembled Nanofibers in Diaminotriazine-Functionalized Tetraphenylethylene Derivatives: Implications for One-Dimensional Molecular Devices, Quality Control of 143-15-7, the publication is ACS Applied Nano Materials (2022), 5(2), 3018-3027, database is CAplus.

One-dimensional (1D) supramol. polymers of aggregation-induced emission (AIE)-active chromophores belong to an in-demand group of functional materials because of their potential applications in optoelectronic devices like optical waveguides, lasers, displays, photodetectors, field-effect transistors, and solar cells. Herein, we report the hydrogen (H)-bondingdirected self-assembly of diaminotriazine-appended tetraphenylethylene derivatives (TPE-DAT) into 1D-fibers, hierarchical organogels and their thymine-induced structural transitions. The intermol. H-bonding ability of diaminotriazine (-DAT=DAT-) leads to the formation of TPE dimers, which upon subsequent cooperative self-assembly via π-π stacking forms micrometer-long, blue-emissive, bundled nanofibers. Further, we exploit the mol. recognition property of thymine nucleobase toward the diaminotriazine unit to tune the properties of this 1D assembly. In the presence of a thymine derivative (T-C12), the blue-emissive, bundled nanofibers of TPE-DAT having a width of 70-80 nm changes to green-emissive nanofibers of TPE-DATT-C12 with 30-40 nm width. This transition from blue- to green-emissive nanofibers and hierarchical gels was ascribed to the change in monomeric units, their mol. planarity, and packing in the self-assembly, which was further probed by UV-visible absorption, at. force microscopy (AFM), transmission electron microscopy (TEM), and fluorescence properties. In addition, to gain more insights into the mechanism of these 1D-assemblies, we explored the self-assembly properties of chiral and racemic derivatives of TPE-DAT and the gelation properties of TPE-DAT and TPE-DATT-C12. In short, this work demonstrates the use of the mol. recognition property of nucleobase and nucleobase analogs in constructing and controlling the formation of rarely reported 1D-assemblies of AIE-active TPE chromophores.

ACS Applied Nano Materials published new progress about 143-15-7. 143-15-7 belongs to bromides-buliding-blocks, auxiliary class Bromide,Aliphatic hydrocarbon chain, name is 1-Bromododecane, and the molecular formula is C12H25Br, Quality Control of 143-15-7.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Xu, Jingwei published the artcileA Thioether-Catalyzed Cross-Coupling Reaction of Allyl Halides and Arylboronic Acids, Safety of 1-Bromo-4-fluoro-2-methylbenzene, the main research area is allyl benzene preparation; arylboronic acid allyl bromide cross coupling reaction thioether catalyst; Allylation; Cross-Coupling; Organocatalysis; Sulfide; Ylide.

Recent discovery of designer thioethers I (R = H, OMe, CF3; R1 = H, OMe, F, CF3; R2 = H, Me) as a highly active organocatalyst for reactions between allyl bromides e.g., 4-bromocrotonic acid Et ester and arylboronic acids R3B(OH)2 (R3 = Ph, 4-methoxyphenyl, 2,3-dihydrobenzo[b][1,4]dioxin-6-yl, etc.) was reported. The cross-coupling event occurred readily under mild condition in the presence of a weak inorganic base. Preliminary mechanistic studies suggested a sulfonium ylide mechanism.

Angewandte Chemie, International Edition published new progress about Aromatic compounds Role: SPN (Synthetic Preparation), PREP (Preparation). 452-63-1 belongs to class bromides-buliding-blocks, name is 1-Bromo-4-fluoro-2-methylbenzene, and the molecular formula is C7H6BrF, Safety of 1-Bromo-4-fluoro-2-methylbenzene.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Cheng, Ge; Zhao, Ling; Wang, Yuechuan published an article in Gaofenzi Xuebao. The title of the article was 《Synthesis and characterization of polyphenylene dendrimers containing terminal trimethylsilyl groups》.Electric Literature of C24H12Br6 The author mentioned the following in the article:

Polyphenylene dendrimers containing terminal trimethylsilyl groups have been synthesized by a phosphine-free palladium chloride-catalyzed Suzuki coupling of 1,3,5-tris(3′,5′-dibromophenyl)benzene with aryl boronic acids. These macromols. were characterized by Fourier transform IR (FTIR), NMR and matrix assisted laser desorption/ionization time of flight (MALDI-TOF) mass spectra. Gel permeation chromatog. (GPC) indicated that the hydrodynamic radius of I, with trimethylsilyl (TMS) groups substituted at para-positions on its terminal benzene rings, was larger than that of its Me derivative, with trimethylsilyl groups substituted at meta-positions on its terminal benzene rings. X-ray powder diffraction patterns showed that dendrimer I was of a certain amount of crystallinity and the Me derivative dendrimer was amorphous.3,3”,5,5”-Tetrabromo-5′-(3,5-dibromophenyl)-1,1′:3′,1”-terphenyl(cas: 29102-67-8Electric Literature of C24H12Br6) was used in this study.

3,3”,5,5”-Tetrabromo-5′-(3,5-dibromophenyl)-1,1′:3′,1”-terphenyl(cas: 29102-67-8) belongs to organobromine compounds.Most of the natural organobromine compounds are produced by marine organisms , and several brominated metabolites with antibacterial , antitumor , antiviral , and antifungal activity have been isolated from seaweed, sponges, corals, molluscs, and others. Electric Literature of C24H12Br6 Moreover, several studies demonstrate that the average proportion of bromine in drugs is significantly higher than that in natural products.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

A variety of minor organobromine compounds are found in nature, but none are biosynthesized or required by mammals. 1575-37-7, formula is C6H7BrN2, Name is 4-Bromobenzene-1,2-diamine. Organobromine compounds have fallen under increased scrutiny for their environmental impact., Reference of 1575-37-7.

Ye, Zhi-Peng;Liu, Fang;Duan, Xin-Yu;Gao, Jie;Guan, Jian-Ping;Xiao, Jun-An;Xiang, Hao-Yue;Chen, Kai;Yang, Hua research published 《 Visible-Light-Promoted Radical Relay Cyclization/C-C Bond Formation of N-Allylbromodifluoroacetamides with Quinoxalin-2(1H)-ones》, the research content is summarized as follows. A visible-light-promoted radical relay of N-allylbromodifluoroacetamide with quinoxalin-2(1H)-ones were developed, in which 5-exo-trig cyclization and C-C bond formation was involved. This above protocol was performed under mild conditions to facilely offer a variety of hybrid mols. bearing both quinoxalin-2(1H)-one and 3,3-difluoro-γ-lactam motifs. These prepared novel skeletons was expanded the accessible chem. space for structurally complex heterocycles with potential biol. activities.

1575-37-7, 4-Bromo-1,2-diaminobenzene can be obtained from 1,2-diaminobenzene via acetylation followed by bromination and alkaline hydrolysis.
4-Bromobenzene-1,2-diamine, also known as 4-Bromobenzene-1,2-diamine, is a useful research compound. Its molecular formula is C6H7BrN2 and its molecular weight is 187.04 g/mol. The purity is usually 95%.
4-Bromo-1,2-diaminobenzene is a dye that is used in diagnostic
procedures to detect the presence of amide groups. 4-Bromo-1,2-diaminobenzene can be used as an inhibitor for cationic polymerization reactions. It also has tuberculostatic activity and inhibits the growth of Mycobacterium tuberculosis. This compound reacts with aniline to form a benzimidazole derivative that contains a reactive amine group. The reaction between this amine group and different electrophiles generates benzimidazole compounds with different properties that are useful in nucleophilic attack reactions. The reaction between 4-bromo-1,2-diaminobenzene and methyl ethyl sulfide produces a luminescent probe that can be used to detect hydrogen bonds., Reference of 1575-37-7

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Ema, Tadashi; Tanida, Daisuke; Matsukawa, Tatsuya; Sakai, Takashi published the artcile< Biomimetic trifunctional organocatalyst showing a great acceleration for the transesterification between vinyl ester and alcohol>, Category: bromides-buliding-blocks, the main research area is biomimetic trifunctional organocatalyst transesterification vinyl ester alc.

Trifunctional organocatalysts (I) 1a (X = S) and 1b (X = O) mimicking the active site of serine hydrolases showed high catalytic activity with up to a 3700000-fold acceleration for the acyl-transfer reactions from vinyl trifluoroacetate to alc.

Chemical Communications (Cambridge, United Kingdom) published new progress about Enzyme mimics Role: CAT (Catalyst Use), SPN (Synthetic Preparation), USES (Uses), PREP (Preparation). 1013031-65-6 belongs to class bromides-buliding-blocks, and the molecular formula is C7H6Br2O, Category: bromides-buliding-blocks.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

One prominent application of synthetic organobromine compounds is the use of polybrominated diphenyl ethers as fire-retardants, and in fact fire-retardant manufacture is currently the major industrial use of the element bromine. 5445-17-0, formula is C4H7BrO2, Name is Methyl 2-bromopropanoate, Synthetic Route of 5445-17-0

Buonomo, Joseph A.;Cole, Malcolm S.;Eiden, Carter G.;Aldrich, Courtney C. research published 《 1,3-Diphenyldisiloxane Enables Additive-Free Redox Recycling Reactions and Catalysis with Triphenylphosphine》, the research content is summarized as follows. Herein, the use of 1,3-diphenyldisiloxane (DPDS) as an enabler of phosphorus redox recycling in Wittig, Staudinger, and alc. substitution reactions has been disclosed. DPDS was successfully utilized in ambient-temperature for Wittig olefination, Appel halogenation of alcs. with Et bromomalonate and Staudinger reduction of azides. Triphenylphosphine-promoted catalytic recycling reactions were also facilitated by DPDS. Additive-free triphenylphosphine-promoted catalytic Staudinger reductions could even be performed at ambient temperature due to the rapid nature of phosphinimine reduction, for which kinetic and thermodn. parameters were characterized. These results demonstrated the utility of DPDS as an excellent reducing agent for the development of phosphorus redox recycling reactions.

Synthetic Route of 5445-17-0, Methyl 2-bromopropionate, also known as Methyl 2-bromopropionate, is a useful research compound. Its molecular formula is C4H7BrO2 and its molecular weight is 167 g/mol. The purity is usually 95%.
Methyl 2-bromopropionate is used in the synthesis of poly(ADP-Ribose)polymerase inhibitors derived from benzoxazin-3-one. Also used in the synthesis of 5-HT2C antagonists affecting serotonin levels.
Methyl 2-bromopropanoate is a chemical compound that can be synthesized in an asymmetric manner. The reaction of methyl 2-bromopropanoate with hydrochloric acid gives the corresponding carboxylic acid, methyl propanoate, and hydrogen bromide in a 1:1 ratio. It has been shown that methyl 2-bromopropanoate is a potential catalyst for the reduction of chloride to chloride ion via the borohydride reduction method. Methyl 2-bromopropanoate has also been used as a model system for studying halides and copper complexes. Magnetic resonance spectroscopy studies have revealed that this chemical compound has a high redox potential and kinetic properties., 5445-17-0.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary