Category: bromides-buliding-blocks

Synthesis of Ladder-Type 9,9′-Bifluorenylidene-Based Conjugated Oligomers via a Pd-Catalyzed Tandem Suzuki Coupling/Heck Cyclization Approach was written by Zhu, Xiaoyan;Liu, Feng;Ba, Xinwu;Wu, Yonggang. And the article was included in Organic Letters in 2022.Computed Properties of C4H4BrNO2 This article mentions the following:

For new ladder-type oligomers and polymers with versatile and robust synthetic strategies, in this study, four fully conjugated ladder-type overcrowded 9,9′-bifluorenylidene-based compounds and oligomers (BFY1, BFY2, BFY3, and BFY4) were synthesized via a Pd-catalyzed tandem Suzuki coupling/Heck cyclization reaction. By monomer screening and route optimization, the target products were obtained in high yields and characterized by ¹H and ¹³C NMR spectroscopy and high resolution mass spectroscopy. In the experiment, the researchers used many compounds, for example, 1-Bromopyrrolidine-2,5-dione (cas: 128-08-5Computed Properties of C4H4BrNO2).

1-Bromopyrrolidine-2,5-dione (cas: 128-08-5) 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鑱砨romine bond is electrophilic in nature. Many of the alkyl bromine derivatives are excellent alkylating agents since bromides are good leaving groups. Tribromides, like tetrabutylammonium tribromide, are used as a solid source of bromine. N-bromosuccimide (NBS) is used for the selective bromination of allylic bonds.Computed Properties of C4H4BrNO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Synthesis of 6,7-Dibromoflavone and Its Regioselective Diversification via Suzuki-Miyaura Reactions was written by Jordan, Sandor;Pajtas, David;Patonay, Tamas;Langer, Peter;Konya, Krisztina. And the article was included in Synthesis in 2017.Computed Properties of C8H7BrO2 This article mentions the following:

The first synthesis pathway to 6,7-dibromoflavone and its transformations to 7-aryl-6-bromo- and 6,7-diarylflavones by Suzuki-Miyaura reactions are presented. Due to the different electronic effects of bromo substituents, the first attack proceeded with good site selectivity at position 7. In the experiment, the researchers used many compounds, for example, 3-Bromophenyl acetate (cas: 35065-86-2Computed Properties of C8H7BrO2).

3-Bromophenyl acetate (cas: 35065-86-2) belongs to organobromine compounds. Bromo compounds are employed in a variety of metal-catalyzed coupling reactions. They are also ideal candidates for the synthesis of Grignard reagents that have wide-applicability in organic synthesis. alpha-Bromoesters are employed in the Reformatsky reaction for the synthesis of beta-hydroxyesters. 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.Computed Properties of C8H7BrO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Efficient perfacial derivatization of cyclodextrins at the primary face was written by Gorin, Boris I.;Riopelle, Richard J.;Thatcher, Greogory R. J.. And the article was included in Tetrahedron Letters in 1996.Name: Heptakis(6-Bromo-6-Deoxy)-灏?Cyclodextrin This article mentions the following:

Synthesis of thirteen cyclodextrin (CD) derivatives via the per-6-bromo-6-deoxy-CD is reported in order to demonstrate the efficiency and ease of perfacial functionalization of 浼? 灏?and 绾珻D employing a Vilsmeier-haack reagent. In the experiment, the researchers used many compounds, for example, Heptakis(6-Bromo-6-Deoxy)-灏?Cyclodextrin (cas: 53784-83-1Name: Heptakis(6-Bromo-6-Deoxy)-灏?Cyclodextrin).

Heptakis(6-Bromo-6-Deoxy)-灏?Cyclodextrin (cas: 53784-83-1) belongs to organobromine compounds. Bromo compounds are employed in a variety of metal-catalyzed coupling reactions. They are also ideal candidates for the synthesis of Grignard reagents that have wide-applicability in organic synthesis. Many of the alkyl bromine derivatives are excellent alkylating agents since bromides are good leaving groups. Tribromides, like tetrabutylammonium tribromide, are used as a solid source of bromine. N-bromosuccimide (NBS) is used for the selective bromination of allylic bonds.Name: Heptakis(6-Bromo-6-Deoxy)-灏?Cyclodextrin

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Discovery and structure-activity relationships of spiroindolines as novel inducers of oligodendrocyte progenitor cell differentiation was written by Katayama, Katsushi;Arai, Yoshikazu;Murata, Kenji;Saito, Shoichi;Nagata, Tsutomu;Takashima, Kouhei;Yoshida, Ayako;Masumura, Makoto;Koda, Shuichi;Okada, Hiroyuki;Muto, Tsuyoshi. And the article was included in Bioorganic & Medicinal Chemistry in 2020.Name: 4-Amino-3-bromophenol This article mentions the following:

A novel series of spiroindoline derivatives was discovered for use as inducers of oligodendrocyte progenitor cell (OPC) differentiation, resulting from optimization of screening hit 1. Exploration of structure-activity relationships led to compound 18, which showed improved potency (rOPC EC₅₀ = 0.0032娓璏). Furthermore, oral administration of compound 18 significantly decreased clin. severity in an exptl. autoimmune encephalomyelitis (EAE) model. In the experiment, the researchers used many compounds, for example, 4-Amino-3-bromophenol (cas: 74440-80-5Name: 4-Amino-3-bromophenol).

4-Amino-3-bromophenol (cas: 74440-80-5) 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. 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.Name: 4-Amino-3-bromophenol

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Desulfonylative Coupling of Alkylsulfones with gem-Difluoroalkenes by Visible-Light Photoredox Catalysis was written by Nambo, Masakazu;Ghosh, Koushik;Yim, Jacky C.-H.;Tahara, Yasuyo;Inai, Naoto;Yanai, Takeshi;Crudden, Cathleen M.. And the article was included in ACS Catalysis in 2022.HPLC of Formula: 18791-79-2 This article mentions the following:

The desulfonylative radical addition of tertiary alkyl groups I [R¹ = 2-phenylethyl, 1,3-dioxolan-2-ylmethyl, prop-2-en-1-yl, etc. R² = Me, 3-chloropropyl, 2-(tert-butoxy)-2-oxoethyl, etc.; R¹ = R² = -(CH₂)₅-, -(CH₂)₂O(CH₂)₂-, 2,3-dihydro-1H-inden-2-ylidene; R³ = H, Me] to gem-difluoroalkenes F₂C=CHR⁴ (R⁴ = 4-(4-chlorophenyl)phenyl, naphthalen-2-yl, 1-benzothiophen-3-yl, etc.) by photoredox Ir-catalyst was described. This method exhibits broad substrate scope, affording structurally diverse (E)-fluoroalkene derivatives (R¹)(R²)R³CC(F)=CHR⁴ in a highly stereoselective manner. The resulting (E)-fluoroalkenes were converted into complex fused cyclic compounds e.g., II by intramol. cyclization reactions. Control experiments and theor. calculations are consistent with a single Ir catalyst playing the dual role of generating radical species from sulfones via single electron transfer and mediating Z/E isomerization via energy transfer. A subset of fluoroalkenes provided Z stereoisomers with <90% selectivity, but the same alkenes could also be obtained as E isomers (R¹)(R²)R³CC(F)=CHR⁴ (R¹ = 2-phenylethyl, R² = R³ = Me, R⁴ = m-OMe, m-Br, p-Me.) with high selectivity by taking advantage of a secondary Z to E photoisomerization. In the experiment, the researchers used many compounds, for example, 5-Bromothiophene-3-carbaldehyde (cas: 18791-79-2HPLC of Formula: 18791-79-2).

5-Bromothiophene-3-carbaldehyde (cas: 18791-79-2) 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.HPLC of Formula: 18791-79-2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

QSAR’s from similarity matrices. Technique validation and application in the comparison of different similarity evaluation methods was written by Good, Andrew C.;Peterson, Stephen J.;Richards, W. Graham. And the article was included in Journal of Medicinal Chemistry in 1993.SDS of cas: 6515-58-8 This article mentions the following:

It has recently been shown that good quant. structure-activity relationships can be obtained through statistical anal. of mol. similarity matrixes. Here we extend the technique to seven addnl. mol. series, previously studied using Comparative Mol. Field Anal. (CoMFA) methodol. The results are used to confirm technique applicability across a wider range of QSAR problems and to compare quant. the ability of various similarity indexes to describe biol. systems. The relative merits of this technique in comparison to CoMFA are discussed. In the experiment, the researchers used many compounds, for example, 3-(Bromomethyl)benzoic acid (cas: 6515-58-8SDS of cas: 6515-58-8).

3-(Bromomethyl)benzoic acid (cas: 6515-58-8) belongs to organobromine compounds. Organo bromine compounds are versatile compounds and are widely used in diverse fields. Organo bromine derivatives are used in the dye sector, as an indicator in analytical chemistry (Bromothymol blue is a popular indicator). When the molecular ion is detected, the bromine and chlorine isotope patterns are very distinct, but caution is to be exercised for certain mixed chlorinated/brominated compounds, which can look similar to homohalogen patterns.SDS of cas: 6515-58-8

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Synthesis and fungicidal activities of boscalid and its analogs was written by Yu, Kang-ping;Li, Ze-fang;Yin, Hong-bo;Liu, Mu-lan;Li, Hui. And the article was included in Xiandai Nongyao in 2015.Safety of 4-Bromo-4′-tert-butylbiphenyl This article mentions the following:

A novel method was employed for preparing boscalid and its alkyl analogs via Friedel-Crafts alkylation, nitration, reduction, condensation, and reverse Friedel-Crafts alkylation from 4-halobiphenyl. Then boscalid and seven analogs were confirmed by ¹H NMR, mass spectrum and IR anal. Preliminary bioassays indicated that the target compounds were effective to some of tested pathogens at 50 mg/L. In the experiment, the researchers used many compounds, for example, 4-Bromo-4′-tert-butylbiphenyl (cas: 162258-89-1Safety of 4-Bromo-4′-tert-butylbiphenyl).

4-Bromo-4′-tert-butylbiphenyl (cas: 162258-89-1) 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. In the pharmaceutical industry organo bromine derivatives are used as sedatives, vasodilators, antiseptic agents, and anticancer agents.Safety of 4-Bromo-4′-tert-butylbiphenyl

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Indanylidenes. 2. Design and Synthesis of (E)-2-(4-Chloro-6-fluoro-1-indanylidene)-N-methylacetamide, a Potent Antiinflammatory and Analgesic Agent without Centrally Acting Muscle Relaxant Activity was written by Musso, David L.;Orr, G. Faye;Cochran, Felicia R.;Kelley, James L.;Selph, Jeffrey L.;Rigdon, Greg C.;Cooper, Barrett R.;Jones, Michael L.. And the article was included in Journal of Medicinal Chemistry in 2003.Computed Properties of C7H5Br2F This article mentions the following:

Extension of the structure-activity relationship studies that led to the discovery of the nonsedating potent muscle relaxant, antiinflammatory, and analgesic agent (E)-2-(4,6-difluoro-1-indanylidene)acetamide has given rise to (E)-2-(4-chloro-6-fluoro-1-indanylidene)-N-methylacetamide (I). I is a potent antiinflammatory and analgesic agent without centrally acting muscle relaxant activity. In the experiment, the researchers used many compounds, for example, 2-Bromo-4-fluorobenzylbromide (cas: 61150-57-0Computed Properties of C7H5Br2F).

2-Bromo-4-fluorobenzylbromide (cas: 61150-57-0) 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. 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.Computed Properties of C7H5Br2F

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

A Multivalent Approach to the Design and Discovery of Orally Efficacious 5-HT₄ Receptor Agonists was written by McKinnell, R. Murray;Armstrong, Scott R.;Beattie, David T.;Choi, Seok-Ki;Fatheree, Paul R.;Gendron, Roland A. L.;Goldblum, Adam;Humphrey, Patrick P.;Long, Daniel D.;Marquess, Daniel G.;Shaw, J. P.;Smith, Jacqueline A. M.;Turner, S. Derek;Vickery, Ross G.. And the article was included in Journal of Medicinal Chemistry in 2009.Product Details of 954-81-4 This article mentions the following:

5-HT₄ receptor agonists such as tegaserod have demonstrated efficacy in the treatment of constipation predominant irritable bowel syndrome (IBS-C), a highly prevalent disorder characterized by chronic constipation and impairment of intestinal propulsion, abdominal bloating, and pain. The 5-HT₄ receptor binding site can accommodate functionally and sterically diverse groups attached to the amine nitrogen atom of common ligands, occupying what may be termed a “secondary” binding site. Using a multivalent approach to lead discovery, the effects of varying the position and nature of the secondary binding group were investigated as a strategy to achieve the desired 5-HT₄ agonist pharmacol. profile. It was shown that the ability of amine-based secondary binding groups to impart exceptional gains in the binding affinity, selectivity, and functional potency of 5-HT₄ agonists. Optimization of the leads generated by this approach afforded compound I, a selective, orally efficacious 5-HT₄ agonist for the potential treatment of gastrointestinal motility-related disorders. In the experiment, the researchers used many compounds, for example, N-(5-Bromopentyl)phthalimide (cas: 954-81-4Product Details of 954-81-4).

N-(5-Bromopentyl)phthalimide (cas: 954-81-4) belongs to organobromine compounds. Bromine is more electronegative than carbon (2.9 vs 2.5). Consequently, the carbon in a carbon閳ユ彽romine bond is electrophilic, i.e. alkyl bromides are alkylating agents. 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.Product Details of 954-81-4

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Isoform-Selective and Stereoselective Inhibition of Hypoxia Inducible Factor-2 was written by Scheuermann, Thomas H.;Stroud, Daniel;Sleet, Christopher E.;Bayeh, Liela;Shokri, Cameron;Wang, Hanzhi;Caldwell, Charles G.;Longgood, Jamie;MacMillan, John B.;Bruick, Richard K.;Gardner, Kevin H.;Tambar, Uttam K.. And the article was included in Journal of Medicinal Chemistry in 2015.Name: Methyl 3-bromo-5-fluorobenzoate This article mentions the following:

Hypoxia inducible factor (HIF) transcription factors reside at the center of signaling pathways used by mammalian cells to sense and respond to low oxygen levels. While essential to maintain oxygen homeostasis, misregulation of HIF protein activity correlates with tumor development and metastasis. To provide artificial routes to target misregulated HIF activity, the authors identified small mol. antagonists of the HIF-2 transcription factor that bind an internal cavity within the C-terminal PAS domain of the HIF-2浼?subunit. Here the authors describe a new class of chiral small mol. ligands that provide the highest affinity binding, the most effective, isoform-selective inhibition of HIF-2 in cells, and trigger the largest protein conformation changes reported to date. The current results further illuminate the mol. mechanism of HIF-2 antagonism and suggest addnl. routes to develop higher affinity and potency HIF-2 antagonists. In the experiment, the researchers used many compounds, for example, Methyl 3-bromo-5-fluorobenzoate (cas: 334792-52-8Name: Methyl 3-bromo-5-fluorobenzoate).

Methyl 3-bromo-5-fluorobenzoate (cas: 334792-52-8) belongs to organobromine compounds. Bromo compounds are employed in a variety of metal-catalyzed coupling reactions. They are also ideal candidates for the synthesis of Grignard reagents that have wide-applicability in organic synthesis. alpha-Bromoesters are employed in the Reformatsky reaction for the synthesis of beta-hydroxyesters. The principal reactions for organobromides include dehydrobromination, Grignard reactions, reductive coupling, and nucleophilic substitution.Name: Methyl 3-bromo-5-fluorobenzoate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary