98453-57-7

Basic information

• Product Name: Benzenebutanoic acid, 4-broMo-, Methyl ester
• Synonyms: Benzenebutanoic acid, 4-broMo-, Methyl ester;methyl 4-(4-bromophenyl)butanoate;4-(4-Bromo-phenyl)-butyric acid methyl ester
• CAS NO: 98453-57-7
• Molecular Formula: C₁₁H₁₃BrO₂
• Molecular Weight: 257.12372
• Mol File: 98453-57-7.mol
• Article Data: 16

Chemical Properties

• Boiling Point: 315.516°C at 760 mmHg
• Flash Point: 144.619°C
• Appearance: /
• Density: 1.343g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.53
• CAS DataBase Reference: Benzenebutanoic acid, 4-broMo-, Methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenebutanoic acid, 4-broMo-, Methyl ester(98453-57-7)
• EPA Substance Registry System: Benzenebutanoic acid, 4-broMo-, Methyl ester(98453-57-7)

Safety Data

• Hazardous Substances Data: 98453-57-7(Hazardous Substances Data)

Usage

General Description

Benzenebutanoic acid, 4-bromo-, methyl ester, also known as 4-bromo-benzoic acid methyl ester, is a chemical compound with the molecular formula C10H11BrO2. It is a colorless to light yellow liquid with a fruity odor, and it is primarily used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. Benzenebutanoic acid, 4-bromo-, methyl ester is also used as a reagent in organic synthesis and as a solvent. It is important to handle this chemical with caution, as it can be harmful if swallowed, inhaled, or in contact with skin, and it may cause irritation to the respiratory system and skin. Additionally, it may have harmful effects on aquatic life if it enters water systems.

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 
• 108-30-5 succinic acid anhydride 
• 108-86-1 bromobenzene 
• 292638-85-8 acrylic acid methyl ester 
• 57477-93-7 hydrazone of p-bromobenzaldehyde 
• 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 
• 75906-36-4 4-(p-bromophenyl)-butan-1-ol 
• 1122-91-4 4-bromo-benzaldehyde 
• 22135-53-1 1-(4'-bromophenyl)-1-butanol 

Downstream Products

• 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 
• 87077-85-8 2-methyl-5-(4-bromophenyl)-2-pentanol 
• 98453-67-9 C₁₉H₁₉BrN₂O₂S 
• 98453-60-2 6-bromo-3,4-dihydro-4,4-dimethylnaphthalen-1(2H)-one 

Relevant articles and documents

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

IRIDIUM COMPLEX

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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.