Detection Methods for Methyl 4-bromobutyrate

Basic Information:

Aliases: 4-Bromobutyric Acid Methyl Ester, 4-Bromo-n-butyrate Methyl Ester

CAS No: 4897-84-1

Molecular Formula: C5H9BrO2

Molecular Weight: 181.03

Physical State: Colorless to pale yellow transparent liquid

Melting Point: 175-190°C

Boiling Point: 186-187°C

Density: 1.434 g/cm³

Uses: It can be used to prepare cyclopropylmethylcyanide derivatives, which are important high-activity compounds.

Methyl 4-bromobutyrate (CAS No.: 4897-84-1), with the molecular formula C5H9BrO2, is an important organic chemical intermediate widely used in pharmaceuticals, chemical industries, and organic synthesis. Ensuring the purity and quality of methyl 4-bromobutyrate while meeting relevant industrial standards is essential. This article introduces several common detection methods for methyl 4-bromobutyrate to help professionals select the most suitable analytical technique.

Common Detection Methods for Methyl 4-Bromobutyrate

Gas Chromatography (GC)

Gas chromatography is one of the most commonly used analytical methods for detecting Methyl 4-bromobutyrate. This method separates and detects methyl 4-bromobutyrate based on its volatility in the gas phase.

Principle: As the sample passes through the gas chromatography column, components are separated based on their volatility differences. By comparing with a standard reference, the content of methyl 4-bromobutyrate in the sample can be determined.

Advantages: High sensitivity, suitable for purity testing and solvent residue analysis.

Applications: Quantitative analysis of Methyl 4-bromobutyrate, particularly for quality control during production.

High-Performance Liquid Chromatography (HPLC)

HPLC is another commonly used method for detecting methyl 4-bromobutyrate. Unlike GC, HPLC does not require the sample to be volatile, making it suitable for analyzing complex matrices.

Principle: The components in the sample are separated by a liquid chromatography column and quantitatively analyzed using UV detection or other methods.

Advantages: Less stringent sample requirements and suitable for quantitative analysis in various solvent systems.

Applications: Quality control, purity analysis, and stability studies of Methyl 4-bromobutyrate.

Nuclear Magnetic Resonance (NMR)

NMR is a powerful technique for providing molecular structure information about methyl 4-bromobutyrate. By analyzing the NMR spectrum, the molecular structure and purity of the compound can be confirmed.

Principle: NMR analyzes the magnetic properties of atomic nuclei in the sample, providing information about the molecular structure. Signals from hydrogen nuclei (^1H NMR) and carbon nuclei (^13C NMR) in methyl 4-bromobutyrate can confirm its structure.

Advantages: Accurate identification of the chemical structure and purity.

Applications: Structural confirmation, purity testing, and impurity analysis of methyl 4-bromobutyrate.

Fourier Transform Infrared Spectroscopy (FTIR)

FTIR is a rapid method for analyzing the functional groups in Methyl 4-bromobutyrate. By examining the infrared absorption spectrum, information about the functional groups in the molecule can be obtained.

Principle: Molecules in the sample absorb infrared light at specific wavelengths, causing vibrations. Different functional groups absorb light at characteristic wavelengths, providing structural information.

Advantages: Simple operation, fast, and effective for identifying key functional groups such as ester and bromine groups in methyl 4-bromobutyrate.

Applications: Functional group analysis and rapid quality assessment of methyl 4-bromobutyrate.

Mass Spectrometry (MS)

Mass spectrometry is used to determine the molecular weight and structure of methyl 4-bromobutyrate. By analyzing the molecular ion peak and fragment ions, the molecular composition can be confirmed.

Principle: Mass spectrometry ionizes the sample and measures the trajectory of ions in an electric field, providing data on the mass-to-charge ratio, molecular weight, and fragment information.

Advantages: Provides molecular weight and structural fragment information with high sensitivity, ideal for identifying complex samples.

Applications: Structural confirmation and qualitative analysis of Methyl 4-bromobutyrate.

Choosing the Right Detection Method

Selecting the appropriate detection method depends on sample complexity, required precision, and available laboratory equipment. Generally:

For high sensitivity and quantitative analysis, GC and HPLC are the most commonly used methods.

For molecular structure analysis and purity verification, NMR and MS are ideal tools.

For rapid functional group analysis, FTIR is a practical choice.

There are multiple detection methods for methyl 4-bromobutyrate, each with its unique advantages and application scenarios. Gas chromatography (GC) and liquid chromatography (HPLC) are well-suited for purity analysis, while NMR and MS are ideal for structural confirmation and impurity analysis. FTIR serves as a quick and efficient tool for functional group identification. Choosing the right detection method based on specific needs can help professionals accurately and efficiently analyze the quality and purity of Methyl 4-bromobutyrate.