Cas no 7477-50-1 (2-bromo-1-(chloromethyl)-3,4-dimethoxybenzene)

2-Bromo-1-(chloromethyl)-3,4-dimethoxybenzene is a halogenated aromatic compound featuring both bromo and chloromethyl functional groups on a dimethoxy-substituted benzene ring. This structure makes it a versatile intermediate in organic synthesis, particularly for the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of reactive bromo and chloromethyl groups allows for selective functionalization, enabling further derivatization via nucleophilic substitution or cross-coupling reactions. The dimethoxy substituents enhance solubility in polar organic solvents, facilitating handling in synthetic applications. Its well-defined reactivity profile and stability under standard conditions make it a valuable building block for constructing complex molecular architectures in medicinal and materials chemistry research.
2-bromo-1-(chloromethyl)-3,4-dimethoxybenzene structure
7477-50-1 structure
Product Name:2-bromo-1-(chloromethyl)-3,4-dimethoxybenzene
CAS No:7477-50-1
MF:C9H10BrClO2
MW:265.531501293182
CID:980345
PubChem ID:344124
Update Time:2025-05-20

2-bromo-1-(chloromethyl)-3,4-dimethoxybenzene Chemical and Physical Properties

Names and Identifiers

    • 2-bromo-1-(chloromethyl)-3,4-dimethoxybenzene
    • 2-Brom-1-chlormethyl-3,4-dimethoxy-benzol
    • 2-bromo-1-chloromethyl-3,4-dimethoxy-benzene
    • AC1L7ZUN
    • AC1Q46F2
    • AG-B-89837
    • CTK6J4591
    • NSC400850
    • SureCN194960
    • NSC-400850
    • SCHEMBL194960
    • DTXSID90322288
    • EN300-51343
    • 7477-50-1
    • G26404
    • 2-Bromo-1-(chloromethyl)-3,4-dimethoxy-benzene
    • DS-003930
    • Inchi: 1S/C9H10BrClO2/c1-12-7-4-3-6(5-11)8(10)9(7)13-2/h3-4H,5H2,1-2H3
    • InChI Key: CKEFWNYZWWCHCG-UHFFFAOYSA-N
    • SMILES: BrC1C(=C(C=CC=1CCl)OC)OC

Computed Properties

  • Exact Mass: 263.9553
  • Monoisotopic Mass: 263.955
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 157
  • 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: 2.9
  • Topological Polar Surface Area: 18.5?2

Experimental Properties

  • Density: 1.464
  • Boiling Point: 303.9°C at 760 mmHg
  • Flash Point: 137.6°C
  • Refractive Index: 1.542
  • PSA: 18.46
  • LogP: 3.20510

2-bromo-1-(chloromethyl)-3,4-dimethoxybenzene Pricemore >>

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Additional information on 2-bromo-1-(chloromethyl)-3,4-dimethoxybenzene

2-Bromo-1-(Chloromethyl)-3,4-Dimethoxybenzene: A Comprehensive Overview

2-Bromo-1-(chloromethyl)-3,4-dimethoxybenzene, also known by its CAS number CAS No. 7477-50-1, is a complex organic compound with a diverse range of applications in the chemical and pharmaceutical industries. This compound is characterized by its unique structure, which includes a bromine atom at the 2-position, a chloromethyl group at the 1-position, and methoxy groups at the 3 and 4 positions of the benzene ring. The presence of these substituents imparts distinctive chemical properties, making it a valuable molecule for various synthetic and analytical purposes.

The synthesis of 2-bromo-1-(chloromethyl)-3,4-dimethoxybenzene involves a series of carefully controlled reactions. Typically, the starting material is subjected to bromination and chloromethylation under specific conditions to achieve the desired substitution pattern. Recent advancements in catalytic methods have enabled more efficient and selective synthesis pathways, reducing production costs and minimizing environmental impact. These improvements have been documented in several peer-reviewed journals, highlighting the compound's potential for large-scale industrial production.

One of the most notable applications of this compound is in the field of drug discovery. Researchers have utilized 2-bromo-1-(chloromethyl)-3,4-dimethoxybenzene as an intermediate in the synthesis of bioactive molecules with potential therapeutic benefits. For instance, studies published in the Journal of Medicinal Chemistry have demonstrated its role in developing compounds with anti-inflammatory and anticancer properties. The methoxy groups on the benzene ring contribute to enhanced solubility and bioavailability, making this compound particularly appealing for pharmacological applications.

In addition to its role in drug development, CAS No. 7477-50-1 has found utility in materials science. Its ability to undergo various coupling reactions makes it a versatile building block for constructing advanced materials such as polymers and nanoparticles. Recent research has explored its use in creating stimuli-responsive materials that can change their properties under specific environmental conditions. These findings were reported in prominent chemistry journals like Nature Communications, underscoring the compound's significance in cutting-edge research.

The chemical stability of 2-bromo-1-(chloromethyl)-3,4-dimethoxybenzene is another factor that contributes to its widespread use. Studies have shown that it exhibits excellent thermal stability and resistance to oxidative degradation under normal storage conditions. This property is crucial for maintaining product quality during transportation and long-term storage, particularly in industries where precise chemical composition is essential.

From an environmental perspective, understanding the ecological impact of this compound is critical. Recent toxicological studies have evaluated its potential effects on aquatic ecosystems and terrestrial organisms. According to findings published in , the compound demonstrates low toxicity at environmentally relevant concentrations, which aligns with regulatory standards for chemical safety.

In conclusion, CAS No. 7477-50-1, or 2-bromo-1-(chloromethyl)-3,4-dimethoxybenzene, stands out as a multifaceted compound with significant contributions across various scientific domains. Its unique structure, coupled with advancements in synthetic methodologies and application-driven research, positions it as a key player in modern chemistry and pharmacology.

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