4-Methylbenzylamine
[CAS# 104-84-7]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyrimidine compound >> Amine
• Name: 4-Methylbenzylamine
• Synonyms: p-Xylylamine
• Molecular Formula: C₈H₁₁N
• Molecular Weight: 121.18
• CAS Registry Number: 104-84-7
• EC Number: 203-243-2
• SMILES: CC1=CC=C(C=C1)CN

Properties

• Density: 0.952
• Melting point: 13 °C
• Boiling point: 195 °C
• Refractive index: 1.533-1.536
• Flash point: 75 °C
• Water solubility: slightly soluble

Safety Data

• Hazard Symbols: GHS05 Danger
• Risk Statements: H314
• Safety Statements: P260-P264-P280-P301+P330+P331-P302+P361+P354-P304+P340-P305+P354+P338-P316-P321-P363-P405-P501

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Skin corrosion	Skin Corr.	1B	H314
Serious eye damage	Eye Dam.	1	H318
Flammable liquids	Flam. Liq.	4	H227
Skin corrosion	Skin Corr.	1C	H314

• Transport Information: UN 2735

Discovery and Applications

4-Methylbenzylamine (4-MBA) is an aromatic amine that has attracted much attention due to its wide range of industrial and pharmaceutical applications. Its unique chemical structure and properties make it a valuable compound in various fields such as drug synthesis and materials science.

4-Methylbenzylamine was first synthesized in the early 20th century as part of the study of aromatic amines and their derivatives. The compound is a derivative of benzylamine in which a methyl group is attached to the para position of the benzene ring. This modification affects the reactivity and physical properties of the compound, making it one of the subjects of academic and industrial research.

4-Methylbenzylamine is characterized by the substitution of the benzene ring with methyl and amine groups. This structure offers several advantages:

The presence of the methyl group enhances the reactivity of the compound, making it useful in a variety of chemical reactions. This reactivity is valuable in synthetic chemistry, and 4-MBA can be used as an intermediate in the production of other chemicals and drugs.

In the pharmaceutical industry, 4-MBA is used to synthesize a variety of drugs and therapeutic agents. Its ability to serve as a precursor to more complex molecules makes it a key ingredient in drug development. For example, it is used to make certain antidepressants and stimulants.

In addition to drugs, 4-MBA is also used in the production of specialty chemicals and materials. Its use as a building block in organic synthesis makes it valuable in making polymers, dyes, and other industrial compounds.

In the pharmaceutical industry, 4-MBA is used to synthesize a variety of biologically active compounds. Its chemical properties allow for the creation of complex molecules used to treat a range of conditions, including mental health disorders and respiratory diseases.

The compound can serve as an intermediate in the synthesis of other chemicals. Its reactivity and ability to form stable intermediates make it a useful tool for chemists working to develop new materials and compounds.

4-MBA is also used in the development of advanced materials. It is used in the production of certain polymers and resins, helping to achieve desired properties in the final product, such as durability and chemical resistance.

References

2019. From Benzylamines. Science of Synthesis, SD-115-00677.
URL: https://science-of-synthesis.thieme.com/app/text/?id=SD-115-00677

2023. Synthesis, structural, spectral and optical analysis of a novel semi-organic nonlinear optical crystal: Bis (4-methylbenzylammonium) hydrogen phosphate monohydrate. Optical and Quantum Electronics, 55(9), 5065.
DOI: 10.1007/s11082-023-05065-4

2024. Investigation on the Structure, Spectral and Third-Order Nonlinear Optical Analysis of a New Organic Crystal: 4-Methylbenzylammonium Hydrogen Succinate. Journal of Electronic Materials, 53(5), 10992.
DOI: 10.1007/s11664-024-10992-3