Cas no 49607-15-0 (3-Nitrotyramine)

3-Nitrotyramine structure
3-Nitrotyramine structure
Product Name:3-Nitrotyramine
CAS No:49607-15-0
MF:C8H10N2O3
MW:182.176601886749
MDL:MFCD00238620
CID:932533
PubChem ID:18958330
Update Time:2025-07-19

3-Nitrotyramine Chemical and Physical Properties

Names and Identifiers

    • 3-Nitrotyramine
    • 4-(2-aminoethyl)-2-nitrophenol
    • 3-Nitro-tyramin
    • 4-hydroxy-3-nitrophenethylamine
    • 1-amino-2-(3-nitro-4-hydroxyphenyl)ethane
    • IUCYCHQMRZWPGT-UHFFFAOYSA-N
    • 2-Nitro-4-(2-aminoethyl)phenol
    • FCH840944
    • 4-(2-Amino-ethyl)-2-nitro-phenol
    • Phenol, 4-(2-aminoethyl)-2-nitro-
    • ST24042391
    • MDL: MFCD00238620
    • Inchi: 1S/C8H10N2O3/c9-4-3-6-1-2-8(11)7(5-6)10(12)13/h1-2,5,11H,3-4,9H2
    • InChI Key: IUCYCHQMRZWPGT-UHFFFAOYSA-N
    • SMILES: OC1C=CC(=CC=1[N+](=O)[O-])CCN

Computed Properties

  • Exact Mass: 182.06900
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 181
  • XLogP3: 1.3
  • Topological Polar Surface Area: 92.1

Experimental Properties

  • PSA: 92.07000
  • LogP: 2.02510

3-Nitrotyramine Customs Data

  • HS CODE:2922299090
  • Customs Data:

    China Customs Code:

    2922299090

    Overview:

    2922299090. Other amino groups(naphthol\phenol)And ether\Esters [including their salts, Except those containing more than one oxygen-containing group]. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared

    Summary:

    2922299090. other amino-naphthols and other amino-phenols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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3-Nitrotyramine Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:49607-15-0)3-Nitrotyramine
Order Number:A871771
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 09:30
Price ($):177.0

Additional information on 3-Nitrotyramine

Introduction to 3-Nitrotyramine (CAS No. 49607-15-0)

3-Nitrotyramine, with the chemical formula C?H?N?O? and the CAS number 49607-15-0, is a significant compound in the field of organic chemistry and pharmacology. This nitro-substituted amine derivative has garnered considerable attention due to its unique structural properties and potential applications in medicinal chemistry. The nitro group at the para position relative to the tyramine backbone imparts distinct reactivity and biological activity, making it a subject of extensive research in both academic and industrial settings.

The synthesis of 3-Nitrotyramine typically involves the nitration of tyramine under controlled conditions, often employing acidic nitrating agents such as nitric acid or mixed acid systems. The reaction requires careful optimization to achieve high selectivity and yield, as over-nitration can lead to undesired byproducts. Advanced synthetic methodologies, including catalytic processes and green chemistry approaches, have been explored to enhance the efficiency and sustainability of its production.

Recent studies have highlighted the pharmacological significance of 3-Nitrotyramine. Its nitro group serves as a key pharmacophore, enabling interactions with various biological targets. Research indicates that this compound exhibits potential in modulating enzymatic pathways involved in neurodegenerative diseases, such as Parkinson's disease. The nitro group's ability to engage in redox cycling suggests that 3-Nitrotyramine may influence oxidative stress-related mechanisms, which are central to many pathological processes.

In addition to its neuroprotective implications, 3-Nitrotyramine has been investigated for its antimicrobial properties. Preliminary findings suggest that it can disrupt bacterial cell membranes, leading to reduced pathogenicity. This makes it a promising candidate for developing novel antimicrobial agents, particularly against drug-resistant strains. The structural versatility of 3-Nitrotyramine allows for further derivatization, enabling the creation of analogs with enhanced specificity and reduced toxicity.

The analytical characterization of 3-Nitrotyramine is another critical aspect of its study. High-performance liquid chromatography (HPLC), mass spectrometry (MS), and nuclear magnetic resonance (NMR) spectroscopy are commonly employed techniques for its identification and quantification. These methods ensure accurate determination of purity and impurity profiles, which are essential for pharmaceutical applications. Advanced spectroscopic techniques, such as two-dimensional NMR and circular dichroism (CD), provide deeper insights into its molecular conformation and interactions.

Current research trends in 3-Nitrotyramine focus on understanding its metabolic fate and potential toxicological effects. In vitro studies using liver microsomes have revealed that it undergoes biotransformation via cytochrome P450 enzymes, producing reactive intermediates that may contribute to its biological activity. Evaluating these metabolic pathways is crucial for assessing its safety profile and designing effective therapeutic strategies. Computational modeling techniques, including molecular dynamics simulations, are being integrated to predict how 3-Nitrotyramine interacts with biological targets at an atomic level.

The role of 3-Nitrotyramine in environmental chemistry is also emerging as a significant area of interest. Its presence in water sources has been detected following industrial discharge or natural degradation processes involving aromatic amines. Understanding its environmental stability and degradation kinetics is vital for developing remediation protocols. Additionally, its potential role as an indicator molecule in environmental monitoring is being explored due to its detectability by advanced sensor technologies.

Industrial applications of 3-Nitrotyramine are gradually expanding beyond pharmaceuticals into agrochemicals and specialty chemicals. Its derivatives exhibit herbicidal and fungicidal properties, making them valuable in crop protection formulations. The ability to functionalize its nitro group allows for the synthesis of novel compounds with tailored properties for specific industrial uses. Collaborative efforts between academia and industry are fostering innovation in this domain, leading to more sustainable and efficient chemical solutions.

The future direction of research on 3-Nitrotyramine lies in interdisciplinary approaches combining synthetic chemistry, pharmacology, toxicology, and environmental science. Integrating these fields will provide a holistic understanding of its multifaceted roles across different domains. Advances in biocatalysis and flow chemistry may further streamline its synthesis, reducing costs and environmental impact. As our knowledge deepens, so too will the applications of this versatile compound in addressing global challenges in health and sustainability.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:49607-15-0)3-Nitrotyramine
A871771
Purity:99%
Quantity:1g
Price ($):177.0
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