Month: November 2022

HPLC of Formula: 583-69-7On March 1, 2019, Kim, Sanghun; Matsubara, Ryosuke; Hayashi, Masahiko published an article in Journal of Organic Chemistry. The article was 《Activated Carbon-Promoted Dehydrogenation of Hydroquinones to Benzoquinones, Naphthoquinones, and Anthraquinones under Molecular Oxygen Atmosphere》. The article mentions the following:

We found that the activated carbon-mol. oxygen system promotes the conversion of hydroquinones to benzoquinones, naphthoquinones, and anthraquinones, which are often found in natural products and pharmaceuticals. In particular, the one-pot synthesis of naphthoquinones and anthraquinones involving a Diels-Alder reaction is a useful protocol for this purpose. In the experiment, the researchers used many compounds, for example, 2-Bromobenzene-1,4-diol(cas: 583-69-7HPLC of Formula: 583-69-7)

2-Bromobenzene-1,4-diol(cas: 583-69-7) belongs to organobromine compounds.Organobromine chemicals are produced naturally by an array of biological and other chemical processes in our environment. HPLC of Formula: 583-69-7Some of these compounds are identical to man-made organobromine compounds, such as methyl bromide, bromoform, and bromophenols, but many others are entirely new moleclar entities, often possessing extraordinary and important biological properties.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2022,New Journal of Chemistry included an article by Zhou, Qian-hua; Pan, Ming-yue; He, Qi; Tang, Qian; Chow, Cheuk-fai; Gong, Cheng-bin. Safety of 4,7-Bis(4-bromophenyl)-1,10-phenanthroline. The article was titled 《Electrochromic behavior of fac-tricarbonyl rhenium complexes》. The information in the text is summarized as follows:

This paper aims to investigate the electrochromic properties of tricarbonyl rhenium complexes. Using 4,7-diphenylphenanthroline (L1) and 4,7-di(4-substituted)-1,10-phenanthroline (L2-L5) as bidentate ligands, tricarbonyl rhenium complexes, fac-Re(CO)3(Lx)Cl (x = 1-5), were synthesized and characterized by IR spectroscopy, 1H NMR, 13C NMR, and high resolution mass spectrometry. Their stereochem. was investigated by single crystal x-ray diffraction. Theor. HOMO and LUMO charge distributions of fac-Re(CO)3(Lx)Cl were calculated by d. functional theory calculations Their electrochem. and electrochromic properties were studied by cyclic voltammetry, UV-visible spectroscopy and chronoamperometry. All fac-Re(CO)3(Lx)Cl complexes underwent a quasi-reversible reduction-oxidation process and an anodic peak at 1.3 V vs. Ag/Ag+. Electrochromic devices based on fac-Re(CO)3(Lx)Cl exhibited good electrochromic performance such as an obvious change in color from bleached yellow state to colored green state (a challenging electrochromic color), rapid response time of <3 s, moderate optical contrast and coloration efficiency, and good switching stability (fac-Re(CO)3(L2)Cl retained 95.2% of its initial optical contrast after 2400 electrochromic switching cycles). The fac-Re(CO)3(L2)Cl with an electron-donating group (-OCH3) at its para-position exhibited better performance including good switching stability, a higher optical contrast and a significant change in color than the unsubstituted, -CH3 substituted, -COOCH3 substituted and Br-substituted analogs. In the experiment, the researchers used 4,7-Bis(4-bromophenyl)-1,10-phenanthroline(cas: 97802-08-9Safety of 4,7-Bis(4-bromophenyl)-1,10-phenanthroline)

4,7-Bis(4-bromophenyl)-1,10-phenanthroline(cas: 97802-08-9) belongs to organobromine compounds.The reactivity of organobromine compounds resembles but is intermediate between the reactivity of organochlorine and organoiodine compounds. Dehydrobromination, Grignard reactions, reductive coupling, Wittig reaction, and several nucleophilic substitution reactions are some of the principal reactions which involve organic bromides.Safety of 4,7-Bis(4-bromophenyl)-1,10-phenanthroline

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

The author of 《Hole Transport Materials Based on 6,12-Dihydroindeno[1,2-b]fluorine with Different Periphery Groups: A New Strategy for Dopant-Free Perovskite Solar Cells》 were Liu, Fan; Wu, Fei; Tu, Zongxiao; Liao, Qiuyan; Gong, Yanbin; Zhu, Linna; Li, Qianqian; Li, Zhen. And the article was published in Advanced Functional Materials in 2019. Product Details of 111865-47-5 The author mentioned the following in the article:

Although several hole-transporting materials (HTMs) have been designed to obtain perovskite solar cells (PSCs) devices with high performance, the dopant-free HTMs for efficient and stable PSCs remain rare. Herein, a rigid planar 6,12-dihydroindeno[1,2-b]fluorine (IDF) core with different numbers of bulky periphery groups to construct dopant-free HTMs of IDF-SFXPh, IDF-DiDPA, and IDF-TeDPA is modified. Thanks to the contributions of the planar IDF core and the twisted SFX periphery groups, the dopant-free IDF-SFXPh-based PSCs device achieves a device performance of 17.6%, comparable to the doped 2,2′,7,7′-tetrakis(N,N-di-p-methoxyphenylamine)-9,9′-spirobifluorene (spiro-OMeTAD)-based device (17.6%), with much enhanced device stability under glovebox and ambient conditions. In the experiment, the researchers used Mono(N,N,N-trimethyl-1-phenylmethanaminium) tribromide(cas: 111865-47-5Product Details of 111865-47-5)

Mono(N,N,N-trimethyl-1-phenylmethanaminium) tribromide(cas: 111865-47-5) belongs to organobromine compounds.The reactivity of organobromine compounds resembles but is intermediate between the reactivity of organochlorine and organoiodine compounds. Product Details of 111865-47-5 The principal reactions for organobromides include dehydrobromination, Grignard reactions, reductive coupling, and nucleophilic substitution.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2016,Li, Qing; Han, Li; Zhang, Bin; Zhou, Jinpei; Zhang, Huibin published 《Synthesis and biological evaluation of triazole based uracil derivatives as novel DPP-4 inhibitors》.Organic & Biomolecular Chemistry published the findings.COA of Formula: C4H7BrO2 The information in the text is summarized as follows:

A series of triazole based uracil derivatives I (R1 = H, 2-F, 2-Me-5-Cl, 4-OMe, etc.) and II [R2 = 2-EtO2CC6H4, 3-HO2CC6H4, CH2CO2H, CH2CO2Et, CH(CH3)CO2H, etc.] were designed and synthesized as novel DPP-4 inhibitors. Compound I (R1 = H) was identified as a lead compound for SAR studies focused on the structural modification at the S2′ subsite of DPP-4. The novel analogs I (R1 = 2-F, 3-F, 4-F, 2,4-F2) were obtained by modifying the substituents at the Ph group and compounds II by introducing the carbonyl group. On screening in DPP-4, compounds II [R2 = (CH2)2CO2H, (CH2)2CO2Me, CH2CH:CHCO2H] showed a significant improvement in DPP-4 inhibitory activities compared to compound I (R1 = H) and showed comparable activities to the marketed DPP-4 inhibitor, alogliptin. Docking studies revealed new favorable binding modes of designed compounds in the S2′ subsite and proved that structural modifications in the S2′ subsite were an effective option to increase the inhibition of DPP-4. In vitro DPP-8 and DPP-9 tests indicated that all compounds showed excellent selectivity against DPP-8 and DPP-9. Further in vivo evaluation showed that compound II [R2 = (CH2)2CO2Me] could significantly improve oral glucose tolerance in ICR mice and dose-dependently reduced glucose levels in type 2 diabetic C57BL/6 mice. These data suggest that compound II (R2 = (CH2)2CO2Me) could be a promising DPP-4 inhibitor for future treatment of T2DM. The experimental part of the paper was very detailed, including the reaction process of Methyl 3-bromopropanoate(cas: 3395-91-3COA of Formula: C4H7BrO2)

Methyl 3-bromopropanoate(cas: 3395-91-3) belongs to bromides. 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.COA of Formula: C4H7BrO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2017,Jiang, Yan; Zhuang, Chunlin; Chen, Long; Lu, Junjie; Dong, Guoqiang; Miao, Zhenyuan; Zhang, Wannian; Li, Jian; Sheng, Chunquan published 《Structural Biology-Inspired Discovery of Novel KRAS-PDEδ Inhibitors》.Journal of Medicinal Chemistry published the findings.Recommanded Product: 3395-91-3 The information in the text is summarized as follows:

Structural biol. is a powerful tool for investigating the stereospecific interactions between a protein and its ligand. Herein, an unprecedented chiral binding pattern was observed for inhibitors of KRAS-PDEδ interactions. Virtual screening and X-ray crystallog. studies revealed that two enantiomers of a racemic inhibitor could bind at different sites. Fragment-based drug design was used to identify highly potent PDEδ inhibitors that can be used as promising lead compounds for target validation and antitumor drug development. The results came from multiple reactions, including the reaction of Methyl 3-bromopropanoate(cas: 3395-91-3Recommanded Product: 3395-91-3)

Methyl 3-bromopropanoate(cas: 3395-91-3) belongs to bromides. 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.Recommanded Product: 3395-91-3

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2018,Organometallics included an article by Martinez, Gabriel Espinosa; Nugent, Joseph W.; Fout, Alison R.. Category: bromides-buliding-blocks. The article was titled 《Simple Nickel Salts for the Amination of (Hetero)aryl Bromides and Iodides with Lithium Bis(trimethylsilyl)amide》. The information in the text is summarized as follows:

Recent developments in the chem. of C-N bond formation and the synthesis of anilines have allowed for the use of 1st-row transition metals to catalyze these transformations. Much of the progress in this area was driven by comprehensive screening for privileged/tailored ligands, which can be costly and not readily available in a research laboratory setting. The authors report a protocol in which simple Ni salts catalyze the C-N cross-coupling reaction between (hetero)aryl bromides and iodides with Li bis(trimethylsilyl)amide without the need for any additive ligand. This method is amenable to low Ni catalyst loadings (1%) as well as gram-scale reactions. Because of the good functional group tolerance and compatibility with heterocyclic moieties, this method is useful for academic laboratory settings where access to tailored ligands and noble-metal catalysts could be challenging. The experimental process involved the reaction of 3,5-Dibromoaniline(cas: 626-40-4Category: bromides-buliding-blocks)

3,5-Dibromoaniline(cas: 626-40-4) belongs to anime. Amines can be classified according to the nature and number of substituents on nitrogen. Aliphatic amines contain only H and alkyl substituents. Aromatic amines have the nitrogen atom connected to an aromatic ring.Important amines include amino acids, biogenic amines, trimethylamine, and aniline. Inorganic derivatives of ammonia are also called amines, such as monochloramine (NClH2).Category: bromides-buliding-blocks

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2018,Journal of Medicinal Chemistry included an article by Hao, Meixi; Hou, Siyuan; Xue, Lingjing; Yuan, Haoliang; Zhu, Lulu; Wang, Cong; Wang, Bin; Tang, Chunming; Zhang, Can. Computed Properties of C4H7BrO2. The article was titled 《Further Developments of the Phenyl-Pyrrolyl Pentane Series of Nonsteroidal Vitamin D Receptor Modulators as Anticancer Agents》. The information in the text is summarized as follows:

The vitamin D3 receptor (VDR), which belongs to the nuclear-receptor superfamily, is a potential mol. target for anticancer-drug discovery. In this study, a series of nonsteroidal vitamin D mimics with phenyl-pyrrolyl pentane skeletons with therapeutic potentials in cancer treatment were synthesized. Among them, 11b (N-(3-(diethylamino)propyl)-1-ethyl-5-(3-(4-((3-ethyl-3-hydroxypentyl)oxy)-3-methylphenyl)pentan-3-yl)-1H-pyrrole-2-carboxamide) and 11g (1-ethyl-5-{1-ethyl-1-[4-(3-ethyl-3-hydroxypentyloxy)-3-methylphenyl]propyl}-1H-pyrrole-2-carboxylic acid (3-morpholin-4-yl-propyl)amide) were identified as the most effective agents in reducing the viability of four cancer-cell lines, particularly those of breast-cancer cells, with IC50 values in the submicromolar-concentration range. In addition, 11b and 11g possessed VDR-binding affinities and displayed significant partial VDR-agonistic activities determined by dual-luciferase-reporter assays and human-leukemia-cell-line (HL-60)-differentiation assays. Furthermore, 11b and 11g inhibited tumor growth in an orthotopic breast-tumor model via inhibition of cell proliferation and induction of cell apoptosis. More importantly, 11b and 11g exhibited favorable pharmacokinetic behavior in vivo and did not increase serum calcium levels or cause any other apparent side effects. In summary, 11b and 11g act as novel VDR modulators and may be promising candidates for cancer chemotherapy. In the experimental materials used by the author, we found Methyl 3-bromopropanoate(cas: 3395-91-3Computed Properties of C4H7BrO2)

Methyl 3-bromopropanoate(cas: 3395-91-3) belongs to bromides. 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.Computed Properties of C4H7BrO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2018,Bioconjugate Chemistry included an article by Veerapen, Natacha; Kharkwal, Shalu Sharma; Jervis, Peter; Bhowruth, Veemal; Besra, Amareeta K.; North, Simon J.; Haslam, Stuart M.; Dell, Anne; Hobrath, Judith; Quaid, Padraic J.; Moynihan, Patrick J.; Cox, Liam R.; Kharkwal, Himanshu; Zauderer, Maurice; Besra, Gurdyal S.; Porcelli, Steven A.. HPLC of Formula: 17696-11-6. The article was titled 《Photoactivable Glycolipid Antigens Generate Stable Conjugates with CD1d for Invariant Natural Killer T Cell Activation》. The information in the text is summarized as follows:

Activation of invariant natural killer T lymphocytes (iNKT cells) by α-galactosylceramide (α-GC) elicits a range of pro-inflammatory or anti-inflammatory immune responses. We report the synthesis and characterization of a series of α-GC analogs with acyl chains of varying length and a terminal benzophenone. These bound efficiently to the glycolipid antigen presenting protein CD1d, and upon photoactivation formed stable CD1d-glycolipid covalent conjugates. Conjugates of benzophenone α-GCs with soluble or cell-bound CD1d proteins retained potent iNKT cell activating properties, with biol. effects that were modulated by acyl chain length and the resulting affinities of conjugates for iNKT cell antigen receptors. Anal. by mass spectrometry identified a unique covalent attachment site for the glycolipid ligands in the hydrophobic ligand binding pocket of CD1d. The creation of covalent conjugates of CD1d with α-GC provides a new tool for probing the biol. of glycolipid antigen presentation, as well as opportunities for developing effective immunotherapeutics. In the experiment, the researchers used many compounds, for example, 8-Bromooctanoic acid(cas: 17696-11-6HPLC of Formula: 17696-11-6)

8-Bromooctanoic acid(cas: 17696-11-6) acid is used in the synthesis of 8-(N-Methyl-4,4′-bipyridinyl)- octanoic acid. 8-Mercaptooctanoic acid was prepared from 8-bromooctanoic acid.HPLC of Formula: 17696-11-6

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2019,Organic & Biomolecular Chemistry included an article by Sun, Wan; Chen, Chen; Qi, Yuan; Zhao, Jinghui; Bao, Yinwei; Zhu, Bolin. Recommanded Product: Methyltriphenylphosphonium bromide. The article was titled 《Palladium-catalyzed cascade reactions of alkene-tethered carbamoyl chlorides with N-tosyl hydrazones: synthesis of alkene-functionalized oxindoles》. The information in the text is summarized as follows:

A palladium-catalyzed cascade reaction of alkene-tethered carbamoyl chlorides 4-R-5-R1-6-R2-2-R3C(=CH2)C6HN(R4)C(O)Cl (R = H, CH3, t-Bu, OCH3, 4-F, 4-Cl, 4-NO2; R2 = H, CH3; R1R2 = -CH=CHCH=CH-; R3 = CH3, C6H5, 4-FC6H4, 4-ClC6H4, 2-FC6H4; R4 = benzyl, p-methoxybenzyl, cyclopentyl) with N-tosyl hydrazones R5HC=NNHTs (R5 = C6H5, naphthalen-1-yl, thiophen-2-yl, etc.) is described. It provided a new way to synthesize various alkene-functionalized oxindoles I bearing an all-carbon quaternary center. The olefin moieties could serve as versatile handles for further elaboration. This transformation was highly efficient and showed good functional group tolerance. After reading the article, we found that the author used Methyltriphenylphosphonium bromide(cas: 1779-49-3Recommanded Product: Methyltriphenylphosphonium bromide)

Methyltriphenylphosphonium bromide(cas: 1779-49-3) is used for methylenation through the Wittig reaction. It is utilized in the synthesis of an enyne and 9-isopropenyl -phenanthrene by using sodium amide as reagent. Recommanded Product: Methyltriphenylphosphonium bromide

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2019,Monatshefte fuer Chemie included an article by Anschuber, Martin; Pollice, Robert; Schnuerch, Michael. Electric Literature of C6H11BrO2. The article was titled 《Rhodium-catalyzed direct alkylation of benzylic amines using alkyl bromides》. The information in the text is summarized as follows:

The development and substrate scope evaluation of a direct alkylation protocol of the C(sp3)-H bond of benzylic amines using alkyl bromides was reported. This pyridine-directed method was initiated by elimination of the alkyl bromide to a terminal olefin, which was then the true alkylating agent. In the experiment, the researchers used many compounds, for example, Ethyl 4-bromobutyrate(cas: 2969-81-5Electric Literature of C6H11BrO2)

Ethyl 4-bromobutyrate(cas: 2969-81-5) belongs to bromides. Most organobromine compounds, like most organohalide compounds, are relatively nonpolar. Bromine is more electronegative than carbon (2.9 vs 2.5). Consequently, the carbon in a carbon–bromine bond is electrophilic, i.e. alkyl bromides are alkylating agents.Electric Literature of C6H11BrO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary