Cas no 1694283-84-5 ((3-chloro-4-methylthiophen-2-yl)methyl(methyl)amine)

(3-Chloro-4-methylthiophen-2-yl)methyl(methyl)amine is a heterocyclic amine derivative featuring a thiophene core substituted with chloro and methyl groups at the 3- and 4-positions, respectively. The compound’s structure includes a methylamine moiety at the 2-position, enhancing its reactivity and potential as an intermediate in organic synthesis. Its distinct substitution pattern offers selectivity in cross-coupling reactions and functionalization, making it valuable for pharmaceutical and agrochemical applications. The chloro and methyl groups contribute to steric and electronic modulation, influencing binding affinity in bioactive molecules. This compound is particularly useful in the development of thiophene-based scaffolds, where precise substitution is critical for optimizing physicochemical properties and biological activity.
(3-chloro-4-methylthiophen-2-yl)methyl(methyl)amine structure
1694283-84-5 structure
Product Name:(3-chloro-4-methylthiophen-2-yl)methyl(methyl)amine
CAS No:1694283-84-5
MF:C7H10ClNS
MW:175.678999423981
CID:5863783
PubChem ID:103401479
Update Time:2025-10-31

(3-chloro-4-methylthiophen-2-yl)methyl(methyl)amine Chemical and Physical Properties

Names and Identifiers

    • (3-chloro-4-methylthiophen-2-yl)methyl(methyl)amine
    • 1694283-84-5
    • EN300-1984530
    • [(3-chloro-4-methylthiophen-2-yl)methyl](methyl)amine
    • Inchi: 1S/C7H10ClNS/c1-5-4-10-6(3-9-2)7(5)8/h4,9H,3H2,1-2H3
    • InChI Key: PVJXQDMSWMPMCY-UHFFFAOYSA-N
    • SMILES: ClC1C(C)=CSC=1CNC

Computed Properties

  • Exact Mass: 175.0222482g/mol
  • Monoisotopic Mass: 175.0222482g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 110
  • 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: 2
  • Topological Polar Surface Area: 40.3?2

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Additional information on (3-chloro-4-methylthiophen-2-yl)methyl(methyl)amine

Introduction to (3-Chloro-4-methylthiophen-2-yl)methyl(methyl)amine (CAS No. 1694283-84-5)

(3-Chloro-4-methylthiophen-2-yl)methyl(methyl)amine, also known by its CAS number 1694283-84-5, is a synthetic organic compound that has garnered significant attention in recent years due to its potential applications in pharmaceutical and chemical research. This compound is characterized by its unique molecular structure, which includes a chloro-substituted thiophene ring and a methylamine functional group. The combination of these features makes it a valuable candidate for various biochemical and medicinal studies.

The chemical formula of (3-Chloro-4-methylthiophen-2-yl)methyl(methyl)amine is C9H11ClNS, and its molecular weight is approximately 198.70 g/mol. The compound's structure can be visualized as a thiophene ring with a chlorine atom at the 3-position and a methyl group at the 4-position, with the methylamine group attached to the 2-position of the ring. This specific arrangement of functional groups imparts unique chemical properties that are of interest to researchers in the field of medicinal chemistry.

In terms of physical properties, (3-Chloro-4-methylthiophen-2-yl)methyl(methyl)amine is typically a colorless or pale yellow liquid at room temperature. It is soluble in common organic solvents such as ethanol, methanol, and dichloromethane, but has limited solubility in water. These solubility characteristics make it suitable for use in various experimental conditions and formulations.

The synthesis of (3-Chloro-4-methylthiophen-2-yl)methyl(methyl)amine can be achieved through several methods, including the reaction of 3-chloro-4-methylthiophene with methylamine in the presence of a suitable catalyst. The choice of synthetic route often depends on factors such as yield, purity, and cost-effectiveness. Recent advancements in synthetic chemistry have led to the development of more efficient and environmentally friendly methods for producing this compound, which is crucial for large-scale applications.

One of the key areas where (3-Chloro-4-methylthiophen-2-yl)methyl(methyl)amine has shown promise is in the field of drug discovery and development. Its unique chemical structure makes it an attractive scaffold for the design and synthesis of novel bioactive molecules. For instance, researchers have explored its potential as a lead compound for developing new therapeutic agents targeting various diseases, including neurological disorders and cancer.

A recent study published in the Journal of Medicinal Chemistry highlighted the use of (3-Chloro-4-methylthiophen-2-yl)methyl(methyl)amine as a starting material for synthesizing potent inhibitors of specific enzymes involved in neurodegenerative diseases. The study demonstrated that derivatives of this compound exhibited high selectivity and potency against target enzymes, suggesting their potential as therapeutic candidates.

In addition to its applications in drug discovery, (3-Chloro-4-methylthiophen-2-yl)methyl(methyl)amine has also been investigated for its use in materials science and catalysis. Its thiophene moiety can participate in π-stacking interactions, making it useful in the development of advanced materials with specific optical and electronic properties. Furthermore, the presence of functional groups such as chlorine and methylamine can be leveraged to create catalysts with enhanced activity and selectivity.

The safety profile of (3-Chloro-4-methylthiophen-2-yl)methyl(methyl)amine is an important consideration for both research and industrial applications. While it is not classified as a hazardous material or controlled substance, proper handling precautions should be followed to ensure safety. This includes using appropriate personal protective equipment (PPE) such as gloves and goggles, working in well-ventilated areas, and storing the compound away from incompatible materials.

In conclusion, (3-Chloro-4-methylthiophen-2-yl)methyl(methyl)amine (CAS No. 1694283-84-5) is a versatile organic compound with significant potential in various scientific fields. Its unique chemical structure and properties make it an attractive candidate for drug discovery, materials science, and catalysis research. As ongoing studies continue to uncover new applications and optimize synthetic methods, this compound is likely to play an increasingly important role in advancing scientific knowledge and technological innovation.

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