Cas no 1629-29-4 (3-Methyl-4-(prop-1-en-2-yl)aniline)

3-Methyl-4-(prop-1-en-2-yl)aniline is a substituted aniline derivative featuring a methyl group at the 3-position and an isopropenyl group at the 4-position of the aromatic ring. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of fine chemicals, pharmaceuticals, and agrochemicals. Its reactive amino group and conjugated double bond system enable diverse functionalization, making it valuable for constructing complex molecular frameworks. The structural features of this compound, including steric and electronic effects imparted by the substituents, influence its reactivity and selectivity in coupling and condensation reactions. It is typically handled under inert conditions due to the sensitivity of the amino group.
3-Methyl-4-(prop-1-en-2-yl)aniline structure
1629-29-4 structure
Product Name:3-Methyl-4-(prop-1-en-2-yl)aniline
CAS No:1629-29-4
MF:C10H13N
MW:147.216922521591
CID:1095118
PubChem ID:55290725
Update Time:2025-10-05

3-Methyl-4-(prop-1-en-2-yl)aniline Chemical and Physical Properties

Names and Identifiers

    • 3-Methyl-4-(prop-1-en-2-yl)aniline
    • 1629-29-4
    • AKOS006364268
    • SCHEMBL24146412
    • Inchi: 1S/C10H13N/c1-7(2)10-5-4-9(11)6-8(10)3/h4-6H,1,11H2,2-3H3
    • InChI Key: PMWMPBBDIGAYJP-UHFFFAOYSA-N
    • SMILES: NC1C=CC(C(=C)C)=C(C)C=1

Computed Properties

  • Exact Mass: 147.104799419g/mol
  • Monoisotopic Mass: 147.104799419g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 151
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3
  • Topological Polar Surface Area: 26?2

3-Methyl-4-(prop-1-en-2-yl)aniline Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A019148590-1g
3-Methyl-4-(prop-1-en-2-yl)aniline
1629-29-4 95%
1g
438.88 USD 2021-05-31
Crysdot LLC
CD12136047-1g
3-Methyl-4-(prop-1-en-2-yl)aniline
1629-29-4 95+%
1g
$518 2024-07-24

3-Methyl-4-(prop-1-en-2-yl)aniline Related Literature

Additional information on 3-Methyl-4-(prop-1-en-2-yl)aniline

3-Methyl-4-(prop-1-en-2-yl)aniline: A Comprehensive Overview

3-Methyl-4-(prop-1-en-2-yl)aniline (CAS No. 1629-29-4) is a versatile organic compound with significant applications in various fields of chemistry and materials science. This compound, also referred to as 4-isopropenyl-N-methylaniline, belongs to the class of aromatic amines and is characterized by its unique structure, which combines a methyl group and an isopropenyl group attached to an aniline backbone. The molecular formula of this compound is C11H15N, and its molecular weight is approximately 165.23 g/mol.

The synthesis of 3-Methyl-4-(prop-1-en-2-yl)aniline typically involves a combination of nucleophilic aromatic substitution and alkylation reactions. Recent advancements in catalytic systems have enabled more efficient and selective methods for its production, reducing the environmental footprint associated with traditional synthesis routes. Researchers have explored the use of transition metal catalysts, such as palladium complexes, to facilitate these reactions under mild conditions.

One of the most notable applications of 3-Methyl-4-(prop-1-en-2-yl)aniline is in the field of polymer chemistry. This compound serves as a key intermediate in the synthesis of advanced polymers, including thermoplastics and elastomers. Its ability to undergo polymerization under controlled conditions has made it invaluable in the development of high-performance materials for automotive, aerospace, and electronic industries.

In the realm of drug discovery, 3-Methyl-4-(prop-1-en-2-yl)aniline has been investigated for its potential as a building block in medicinal chemistry. Recent studies have highlighted its role in the design of bioactive molecules targeting various therapeutic areas, such as cancer and neurodegenerative diseases. The compound's structural flexibility allows for easy modification to enhance pharmacokinetic properties, making it a promising candidate for future drug development.

The physical properties of 3-Methyl-4-(prop-1-en-2-yl)aniline are also worth noting. It exists as a crystalline solid at room temperature with a melting point of approximately 85°C and a boiling point around 300°C under standard conditions. Its solubility in common organic solvents, such as dichloromethane and ethyl acetate, facilitates its use in various chemical processes.

From an environmental perspective, understanding the degradation pathways of 3-Methyl-4-(prop-1-en-2-yl)aniline is crucial for assessing its ecological impact. Recent research has demonstrated that this compound undergoes rapid biodegradation under aerobic conditions, reducing concerns about its persistence in natural ecosystems.

In conclusion, 3-Methyl-4-(prop-1-en-2-yli aniline (CAS No. 1629–29–4) is a multifaceted compound with diverse applications across multiple disciplines. Its unique chemical structure, coupled with advancements in synthetic methodologies and application-oriented research, positions it as a key player in modern chemical innovation.

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