98453-57-7

Usage

Uses

Used in Pharmaceutical Industry:
Benzenebutanoic acid, 4-bromo-, methyl ester is used as an intermediate in the synthesis of various pharmaceuticals. Its unique chemical structure allows it to be a key component in the development of new drugs, contributing to the advancement of medicine and healthcare.
Used in Agrochemical Industry:
In the agrochemical industry, Benzenebutanoic acid, 4-bromo-, methyl ester is used as an intermediate in the synthesis of agrochemicals. Its application in this field helps in the development of effective pesticides and other agricultural chemicals, ensuring better crop protection and increased agricultural productivity.
Used as a Reagent in Organic Synthesis:
Benzenebutanoic acid, 4-bromo-, methyl ester is used as a reagent in organic synthesis. Its versatile chemical properties make it a valuable component in various chemical reactions, facilitating the synthesis of a wide range of organic compounds for different applications.
Used as a Solvent:
Benzenebutanoic acid, 4-bromo-, methyl ester is also used as a solvent in various chemical processes. Its ability to dissolve a wide range of substances makes it a useful component in various industrial applications, including the production of paints, coatings, and other chemical products.

InChI:InChI=1/C11H13BrO2/c1-14-11(13)4-2-3-9-5-7-10(12)8-6-9/h5-8H,2-4H2,1H3

Upstream product

• 67-56-1 methanol 
• 35656-89-4 4-(4-bromophenyl)butanoic acid 
• 22135-53-1 1-(4'-bromophenyl)-1-butanol 
• 1122-91-4 4-bromo-benzaldehyde 
• 75906-36-4 4-(p-bromophenyl)-butan-1-ol 
• 292638-85-8 acrylic acid methyl ester 
• 57477-93-7 hydrazone of p-bromobenzaldehyde 
• 108-30-5 succinic acid anhydride 
• 108-86-1 bromobenzene 
• 15118-60-2 4-(4-aminophenyl)butyric Acid 
• 6340-79-0 4-oxo-4-(4-bromophenyl)butanoic acid 
• 74532-94-8 1-bromo-4-(but-1-en-1-yl)benzene 

Downstream Products

• 87077-85-8 2-methyl-5-(4-bromophenyl)-2-pentanol 
• 1609109-68-3 C₃₅H₄₄N₄O₄S 
• 1609109-72-9 C₁₈H₂₆O₅ 
• 1609109-74-1 C₁₈H₂₆O₄ 
• 1609109-82-1 C₁₇H₂₄O₄ 
• 1609109-76-3 C₃₁H₄₅N₃O₄ 
• 1609109-83-2 C₃₁H₄₃N₃O₃ 
• 1609109-77-4 C₂₉H₃₉N₃O₃ 
• 1609109-71-8 C₁₂H₁₄O₃ 
• 81036-82-0 4-(4-bromophenyl)butyraldehyde 
• 98453-67-9 C₁₉H₁₉BrN₂O₂S 

Relevant academic research and scientific papers

Functionalized π Stacks of Hexabenzoperylenes as a Platform for Chemical and Biological Sensing

One challenge in tailoring organic semiconductors for sensing applications is that the introduction of reactive groups or binding sites usually impairs π-π interactions. To meet this challenge, this study puts forth an unusual type of π stacking that allo

An Iron-Mesoionic Carbene Complex for Catalytic Intramolecular C-H Amination Utilizing Organic Azides

The synthesis of N-heterocycles is of paramount importance for the pharmaceutical industry. They are often synthesized through atom economic and environmentally unfriendly methods, generating significant waste. A less explored, but greener, alternative is

IRIDIUM COMPLEX

PROBLEM TO BE SOLVED: To provide iridium which accommodates a wavelength region called a biological window, has a stable excited state, and has an N-hydroxysuccinimide ester group that is a site to bind to a biological substance. SOLUTION: A compound is r

Copper-Catalyzed Conjugate Addition of Carbonyls as Carbanion Equivalent via Hydrazones

Copper-catalyzed conjugate addition is a classic method for forming new carbon-carbon bonds. However, copper has never showed catalytic activity for umpolung carbanions in hydrazone chemistry. Herein, we report a facile conjugate addition of hydrazone catalyzed by readily available copper complexes at room temperature. The employment of mesitylcopper(I) and electron-rich phosphine bidentate ligand is a key factor affecting reactivity. The reaction allows various aromatic hydrazones to react with diverse conjugated compounds to produce 1,4-adducts in yields of about 20 to 99%.

SNP discrimination by tolane-modified peptide nucleic acids: Application for the detection of drug resistance in pathogens

During the treatment of viral or bacterial infections, it is important to evaluate any resistance to the therapeutic agents used. An amino acid substitution arising from a single base mutation in a particular gene often causes drug resistance in pathogens. Therefore, molecular tools that discriminate a single base mismatch in the target sequence are required for achieving therapeutic success. Here, we synthesized peptide nucleic acids (PNAs) derivatized with tolane via an amide linkage at the N-terminus and succeeded in improving the sequence specificity, even with a mismatched base pair located near the terminal region of the duplex. We assessed the sequence specificities of the tolane-PNAs for single-strand DNA and RNA by UV-melting temperature analysis, thermodynamic analysis, an in silico conformational search, and a gel mobility shift assay. As a result, all of the PNA-tolane derivatives stabilized duplex formation to the matched target sequence without inducing mismatch target binding. Among the different PNA-tolane derivatives, PNA that was modified with a naphthyl-type tolane could efficiently discriminate a mismatched base pair and be utilized for the detection of resistance to neuraminidase inhibitors of the influenza A/H1N1 virus. Therefore, our molecular tool can be used to discriminate single nucleotide polymorphisms that are related to drug resistance in pathogens.

Rhodium-Catalyzed Remote C(sp3)?H Borylation of Silyl Enol Ethers

A rhodium-catalyzed remote C(sp3)?H borylation of silyl enol ethers (SEEs, E/Z mixtures) by alkene isomerization and hydroboration is reported. The reaction exhibits mild reaction conditions and excellent functional-group tolerance. This method is compatible with an array of SEEs, including linear and branched SEEs derived from aldehydes and ketones, and provides direct access to a broad range of structurally diverse 1,n-borylethers in excellent regioselectivities and good yields. These compounds are precursors to various valuable chemicals, such as 1,n-diols and aminoalcohols.

Efficient C-H Amination Catalysis Using Nickel-Dipyrrin Complexes

A dipyrrin-supported nickel catalyst (AdFL)Ni(py) (AdFL: 1,9-di(1-adamantyl)-5-perfluorophenyldipyrrin; py: pyridine) displays productive intramolecular C-H bond amination to afford N-heterocyclic products using aliphatic azide substrates. The catalytic amination conditions are mild, requiring 0.1-2 mol% catalyst loading and operational at room temperature. The scope of C-H bond substrates was explored and benzylic, tertiary, secondary, and primary C-H bonds are successfully aminated. The amination chemoselectivity was examined using substrates featuring multiple activatable C-H bonds. Uniformly, the catalyst showcases high chemoselectivity favoring C-H bonds with lower bond dissociation energy as well as a wide range of functional group tolerance (e.g., ethers, halides, thioetheres, esters, etc.). Sequential cyclization of substrates with ester groups could be achieved, providing facile preparation of an indolizidine framework commonly found in a variety of alkaloids. The amination cyclization reaction mechanism was examined employing nuclear magnetic resonance (NMR) spectroscopy to determine the reaction kinetic profile. A large, primary intermolecular kinetic isotope effect (KIE = 31.9 ± 1.0) suggests H-atom abstraction (HAA) is the rate-determining step, indicative of H-atom tunneling being operative. The reaction rate has first order dependence in the catalyst and zeroth order in substrate, consistent with the resting state of the catalyst as the corresponding nickel iminyl radical. The presence of the nickel iminyl was determined by multinuclear NMR spectroscopy observed during catalysis. The activation parameters (ΔH? = 13.4 ± 0.5 kcal/mol; ΔS?= -24.3 ± 1.7 cal/mol·K) were measured using Eyring analysis, implying a highly ordered transition state during the HAA step. The proposed mechanism of rapid iminyl formation, rate-determining HAA, and subsequent radical recombination was corroborated by intramolecular isotope labeling experiments and theoretical calculations.

PROTEIN KINASE C AGONISTS

The present disclosure relates generally to certain diacylglycerol lactone compounds, pharmaceutical compositions comprising said compounds, and methods of making and using said compounds and pharmaceutical compositions. The compounds and compositions disclosed herein may be used for the treatment or prevention of diseases, disorders, or infections modifiable by protein kinase C (PKC) agonists, such as HIV.

BIARYL DERIVATIVE AS GPR120 AGONIST

The present invention relates to a biaryl derivative expressed by the chemical formula 1, a method for producing the biaryl derivative, a pharmaceutical composition comprising same, and use of same, the biaryl derivative expressed by the chemical formula 1, as a GPR120 agonist, promoting GLP-1 generation in the gastro-intestinal tract, reducing insulin resistance in the liver, muscles and the like from anti-inflammatory activity in the macrophage, pancreatic cells and the like, and allowing effective use in prevention or treatment of inflammation or metabolic diseases such as diabetes, complications from diabetes, obesity, non-alcoholic fatty liver disease, fatty liver disease, and osteoporosis.

Metal-Free Enantioselective Oxidative Arylation of Alkenes: Hypervalent-Iodine-Promoted Oxidative C?C Bond Formation

The enantioselective oxyarylation of (E)-6-aryl-1-silyloxylhex-3-ene was achieved using a lactate-based chiral hypervalent iodine(III) reagent in the presence of boron trifluoride diethyl etherate. The silyl ether promotes the oxidative cyclization, and enhances the enantioselectivity. In addition, the corresponding aminoarylation was achieved.