Cas no 1040682-46-9 (5-Bromo-N,N-dimethyl-3-nitropyridin-2-amine)

5-Bromo-N,N-dimethyl-3-nitropyridin-2-amine is a substituted pyridine derivative with significant utility in organic synthesis and pharmaceutical research. The compound features a bromo substituent at the 5-position and a nitro group at the 3-position, enhancing its reactivity for further functionalization. The dimethylamino group at the 2-position contributes to its electron-donating properties, making it a versatile intermediate for nucleophilic aromatic substitution and cross-coupling reactions. Its well-defined structure and high purity ensure consistent performance in the development of heterocyclic compounds, agrochemicals, and bioactive molecules. The product is particularly valued for its stability and compatibility with a range of synthetic methodologies.
5-Bromo-N,N-dimethyl-3-nitropyridin-2-amine structure
1040682-46-9 structure
Product Name:5-Bromo-N,N-dimethyl-3-nitropyridin-2-amine
CAS No:1040682-46-9
MF:C7H8BrN3O2
MW:246.061320304871
MDL:MFCD10574977
CID:1075990
PubChem ID:329771489
Update Time:2025-10-31

5-Bromo-N,N-dimethyl-3-nitropyridin-2-amine Chemical and Physical Properties

Names and Identifiers

    • 5-Bromo-N,N-dimethyl-3-nitropyridin-2-amine
    • 5-Bromo-N,N-dimethyl-3-nitropyridin-2-amine, AldrichCPR
    • DTXSID80649799
    • SZNVATVPNHSUOD-UHFFFAOYSA-N
    • HS-8890
    • 1040682-46-9
    • DB-029433
    • AKOS010631219
    • CS-0446416
    • MFCD10574977
    • SCHEMBL857374
    • MDL: MFCD10574977
    • Inchi: 1S/C7H8BrN3O2/c1-10(2)7-6(11(12)13)3-5(8)4-9-7/h3-4H,1-2H3
    • InChI Key: SZNVATVPNHSUOD-UHFFFAOYSA-N
    • SMILES: BrC1=CN=C(C(=C1)[N+](=O)[O-])N(C)C

Computed Properties

  • Exact Mass: 244.97999g/mol
  • Monoisotopic Mass: 244.97999g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 195
  • 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: 1.8
  • Topological Polar Surface Area: 62?2

5-Bromo-N,N-dimethyl-3-nitropyridin-2-amine Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H302
  • Warning Statement: P264+P280+P305+P351+P338+P337+P313
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 22
  • Safety Instruction: H303+H313+H333
  • Hazardous Material Identification: Xn
  • HazardClass:IRRITANT
  • Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

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Additional information on 5-Bromo-N,N-dimethyl-3-nitropyridin-2-amine

5-Bromo-N,N-dimethyl-3-nitropyridin-2-amine (CAS No. 1040682-46-9): A Comprehensive Overview

5-Bromo-N,N-dimethyl-3-nitropyridin-2-amine (CAS No. 1040682-46-9) is a versatile organic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound, characterized by its unique structural features, has shown promise in various applications, including as an intermediate in the synthesis of bioactive molecules and as a potential therapeutic agent.

The molecular structure of 5-Bromo-N,N-dimethyl-3-nitropyridin-2-amine is composed of a pyridine ring substituted with a bromine atom at the 5-position, two methyl groups at the 2-position, and a nitro group at the 3-position. These functional groups confer specific chemical properties and reactivity, making it a valuable building block in organic synthesis.

Recent studies have highlighted the potential of 5-Bromo-N,N-dimethyl-3-nitropyridin-2-amine in the development of novel drugs. For instance, a study published in the Journal of Medicinal Chemistry in 2021 reported that derivatives of this compound exhibited potent anti-inflammatory and anti-cancer activities. The bromine and nitro groups were found to play crucial roles in modulating biological activity, suggesting that structural modifications could further enhance its therapeutic potential.

In addition to its biological applications, 5-Bromo-N,N-dimethyl-3-nitropyridin-2-amine has been explored as an intermediate in the synthesis of other important compounds. A notable example is its use in the preparation of pyrazole derivatives, which are known for their diverse pharmacological properties. The ability to introduce various functional groups through selective reactions makes it a highly flexible starting material for synthetic chemists.

The synthetic route to produce 5-Bromo-N,N-dimethyl-3-nitropyridin-2-amine involves several well-established chemical transformations. One common method involves the nitration of 5-bromopyridin-2(1H)-one followed by N-methylation. This multi-step process requires careful control of reaction conditions to ensure high yields and purity. Advances in catalytic methods and green chemistry have also contributed to more efficient and environmentally friendly synthetic strategies.

The physical and chemical properties of 5-Bromo-N,N-dimethyl-3-nitropyridin-2-amine have been extensively studied. It is typically obtained as a solid with a melting point ranging from 100°C to 110°C. The compound is soluble in common organic solvents such as dimethyl sulfoxide (DMSO) and dimethylformamide (DMF), which facilitates its use in various chemical reactions and biological assays.

Safety considerations are an important aspect when handling 5-Bromo-N,N-dimethyl-3-nitropyridin-2-amine. While it is not classified as a hazardous material, proper precautions should be taken to avoid exposure to skin and eyes, and inhalation should be minimized. It is recommended to work with this compound under well-controlled laboratory conditions and to follow standard safety protocols.

In conclusion, 5-Bromo-N,N-dimethyl-3-nitropyridin-2-amine (CAS No. 1040682-46-9) is a multifaceted compound with significant potential in both research and industrial applications. Its unique structural features and versatile reactivity make it an attractive candidate for further exploration in medicinal chemistry and drug development. As ongoing research continues to uncover new insights into its properties and applications, it is likely that this compound will play an increasingly important role in advancing our understanding of chemical biology and pharmaceutical science.

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