Cas no 860997-09-7 (Methyl-(3-methylthiophen-2-ylmethyl)amine)

Methyl-(3-methylthiophen-2-ylmethyl)amine is a heterocyclic amine derivative featuring a thiophene core substituted with a methyl group at the 3-position and an aminomethyl moiety at the 2-position, further methylated at the nitrogen. This compound is of interest in organic synthesis and pharmaceutical research due to its structural versatility as a building block for bioactive molecules. The thiophene ring enhances electron-rich characteristics, while the methylamine substituent offers reactivity for further functionalization. Its well-defined structure and stability under standard conditions make it suitable for applications in medicinal chemistry, particularly in the development of ligands or intermediates for drug discovery. Proper handling and storage under inert conditions are recommended to maintain purity.
Methyl-(3-methylthiophen-2-ylmethyl)amine structure
860997-09-7 structure
Product Name:Methyl-(3-methylthiophen-2-ylmethyl)amine
CAS No:860997-09-7
MF:C7H11NS
MW:141.23394036293
MDL:MFCD04477990
CID:718209
PubChem ID:961382
Update Time:2025-06-13

Methyl-(3-methylthiophen-2-ylmethyl)amine Chemical and Physical Properties

Names and Identifiers

    • Methyl-(3-methylthiophen-2-ylmethyl)amine
    • 2-Thiophenemethanamine,N,3-dimethyl-
    • METHYL-(3-METHYL-THIOPHEN-2-YLMETHYL)-AMINE
    • N-methyl(3-methylthiophen-2-yl)methanamine
    • N-methyl-1-(3-methyl-2-thienyl)methanamine(SALTDATA: HCl)
    • N-methyl-1-(3-methylthiophen-2-yl)methanamine
    • methyl[(3-methyl(2-thienyl))methyl]amine
    • N-Methyl-1-(3-methyl-2-thienyl)methanamine
    • 860997-09-7
    • AKOS000264148
    • STK510869
    • CS-0247030
    • methyl-(3-methyl-thiophen-2-ylmethyl)-amine, AldrichCPR
    • SCHEMBL4573620
    • HMS1699C16
    • CHEMBL1907184
    • DTXSID60359384
    • methyl[(3-methylthiophen-2-yl)methyl]amine
    • EN300-35395
    • MDL: MFCD04477990
    • Inchi: 1S/C7H11NS/c1-6-3-4-9-7(6)5-8-2/h3-4,8H,5H2,1-2H3
    • InChI Key: KSWAIIKUFIWWOC-UHFFFAOYSA-N
    • SMILES: S1C=CC(C)=C1CNC

Computed Properties

  • Exact Mass: 141.06100
  • Monoisotopic Mass: 141.06122053g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 85
  • 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: 1.4
  • Topological Polar Surface Area: 40.3?2

Experimental Properties

  • Density: 1.032
  • Boiling Point: 194.7°C at 760 mmHg
  • Flash Point: 71.6°C
  • Refractive Index: 1.535
  • PSA: 40.27000
  • LogP: 2.16680

Methyl-(3-methylthiophen-2-ylmethyl)amine Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on Methyl-(3-methylthiophen-2-ylmethyl)amine

Methyl-(3-methylthiophen-2-ylmethyl)amine: A Comprehensive Overview

Methyl-(3-methylthiophen-2-ylmethyl)amine, with the CAS number 860997-09-7, is a compound of significant interest in the field of pharmaceutical chemistry and bioorganic synthesis. This molecule, characterized by its structural features and functional groups, has garnered attention due to its potential applications in drug discovery and development. The compound's unique chemical properties make it a valuable candidate for further investigation, particularly in the context of designing novel therapeutic agents.

The molecular structure of Methyl-(3-methylthiophen-2-ylmethyl)amine consists of a thiophene ring substituted with a methyl group at the 3-position and an amine group at the 2-position, which is further linked to a methyl group. This arrangement contributes to its distinct reactivity and interaction capabilities with biological targets. The presence of the thiophene moiety is particularly noteworthy, as thiophene derivatives are widely recognized for their role in medicinal chemistry due to their ability to modulate various biological pathways.

In recent years, there has been a growing interest in thiophene-based compounds for their pharmacological properties. Research has demonstrated that these molecules can exhibit a range of biological activities, including anti-inflammatory, antimicrobial, and antitumor effects. The specific configuration of Methyl-(3-methylthiophen-2-ylmethyl)amine makes it an attractive scaffold for developing new drugs that target these mechanisms. For instance, studies have shown that thiophene derivatives can interact with enzymes and receptors involved in disease processes, offering potential therapeutic benefits.

The synthesis of Methyl-(3-methylthiophen-2-ylmethyl)amine involves multi-step organic reactions that require precise control over reaction conditions and reagent selection. Advanced synthetic methodologies have been employed to optimize yield and purity, ensuring that the final product meets the stringent requirements for pharmaceutical applications. Techniques such as palladium-catalyzed cross-coupling reactions and nucleophilic substitutions have been particularly useful in constructing the desired molecular framework.

One of the most compelling aspects of Methyl-(3-methylthiophen-2-ylmethyl)amine is its potential as a building block for more complex pharmacological entities. By modifying its structure or appending additional functional groups, researchers can generate derivatives with enhanced biological activity or improved pharmacokinetic profiles. This flexibility makes it a valuable tool in the drug discovery pipeline, allowing for the rapid design and synthesis of novel compounds.

Recent advancements in computational chemistry have further facilitated the exploration of Methyl-(3-methylthiophen-2-ylmethyl)amine's properties. Molecular modeling techniques enable researchers to predict how this compound might behave in different environments and how it might interact with biological targets. These predictions can guide experimental efforts, reducing the time and resources required to develop effective therapeutic agents. Additionally, machine learning algorithms have been applied to analyze large datasets containing structural and activity information, identifying patterns that could lead to new insights into the compound's potential uses.

The pharmacological evaluation of Methyl-(3-methylthiophen-2-ylmethyl)amine has revealed several promising characteristics. In vitro studies have indicated that it can modulate key signaling pathways involved in inflammation and cancer progression. For example, research suggests that this compound may inhibit the activity of enzymes such as cyclooxygenase (COX) and lipoxygenase (LOX), which are known contributors to inflammatory responses. Furthermore, its ability to interact with specific receptors has been explored, revealing potential applications in treating neurological disorders.

Preclinical studies have also provided valuable insights into the safety and efficacy of Methyl-(3-methylthiophen-2-ylmethyl)amine. Animal models have been used to assess its toxicity profile and pharmacokinetic behavior, ensuring that any potential human trials would be conducted under well-informed conditions. These studies have generally shown that the compound is well-tolerated at relevant doses, although further research is needed to fully understand its long-term effects.

The future direction of research on Methyl-(3-methylthiophen-2-ylmethyl)amine is likely to focus on optimizing its pharmacological properties and exploring new therapeutic applications. Collaborative efforts between synthetic chemists, pharmacologists, and bioinformaticians will be essential in translating laboratory findings into clinical reality. By leveraging interdisciplinary approaches and cutting-edge technologies, scientists can accelerate the development of novel drugs based on this promising compound.

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