Cas no 64977-27-1 (Naphthalene,1-(bromomethyl)-3-methyl-)

Naphthalene,1-(bromomethyl)-3-methyl- structure
64977-27-1 structure
Product Name:Naphthalene,1-(bromomethyl)-3-methyl-
CAS No:64977-27-1
MF:C12H11Br
MW:235.119742631912
MDL:MFCD18413631
CID:519015
PubChem ID:186777
Update Time:2025-08-05

Naphthalene,1-(bromomethyl)-3-methyl- Chemical and Physical Properties

Names and Identifiers

    • Naphthalene,1-(bromomethyl)-3-methyl-
    • 1-(bromomethyl)-3-methylnaphthalene
    • 1-Bromomethyl-3-methyl-naphthalene
    • MDL: MFCD18413631
    • Inchi: 1S/C12H11Br/c1-9-6-10-4-2-3-5-12(10)11(7-9)8-13/h2-7H,8H2,1H3
    • InChI Key: DBYMEXPGFMXFRT-UHFFFAOYSA-N
    • SMILES: BrCC1C=C(C)C=C2C=CC=CC2=1

Computed Properties

  • Exact Mass: 234.00443
  • Monoisotopic Mass: 234.00441g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 167
  • 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: 4.6
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0

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Naphthalene,1-(bromomethyl)-3-methyl- Suppliers

Amadis Chemical Company Limited
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(CAS:64977-27-1)Naphthalene,1-(bromomethyl)-3-methyl-
Order Number:A1040214
Stock Status:in Stock
Quantity:1g/5g/500mg/100mg
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 17:08
Price ($):1679.0/6249.0/893.0/500.0

Additional information on Naphthalene,1-(bromomethyl)-3-methyl-

1-(Bromomethyl)-3-Methyl-Naphthalene: A Comprehensive Overview

The compound with CAS No. 64977-27-1, commonly referred to as 1-(bromomethyl)-3-methyl-naphthalene, is a significant molecule in the field of organic chemistry and materials science. This compound is a derivative of naphthalene, a polycyclic aromatic hydrocarbon with two fused benzene rings. The bromomethyl group attached at the 1-position and the methyl group at the 3-position introduce unique electronic and structural properties to the molecule, making it a subject of interest in various research domains.

Recent studies have highlighted the potential of 1-(bromomethyl)-3-methyl-naphthalene in advanced materials development, particularly in the synthesis of novel polymers and organic semiconductors. The bromomethyl group serves as a versatile functional group, enabling reactions such as nucleophilic substitution and addition, which are crucial for building complex molecular architectures. Researchers have explored its role in creating self-healing polymers, where the bromomethyl group facilitates dynamic covalent bonds that can reform after damage.

In addition to its role in materials science, 1-(bromomethyl)-3-methyl-naphthalene has shown promise in drug discovery and medicinal chemistry. The naphthalene framework is a common scaffold in pharmaceuticals due to its aromatic stability and ability to interact with biological targets. The methyl group at the 3-position enhances lipophilicity, potentially improving bioavailability, while the bromomethyl group can serve as a site for further functionalization to target specific receptors or enzymes.

Recent advancements in computational chemistry have allowed for detailed modeling of 1-(bromomethyl)-3-methyl-naphthalene's electronic structure and reactivity. Quantum mechanical calculations reveal that the bromomethyl group introduces a dipole moment, altering the molecule's reactivity compared to its parent naphthalene. This understanding has been instrumental in designing more efficient synthetic routes for this compound, reducing production costs and environmental impact.

The synthesis of 1-(bromomethyl)-3-methyl-naphthalene typically involves multi-step organic reactions, including Friedel-Crafts alkylation and subsequent bromination. Researchers have optimized these processes by employing catalytic systems that enhance reaction selectivity and yield. For instance, the use of solid acid catalysts has been shown to improve the regioselectivity of Friedel-Crafts alkylation, ensuring that the methyl group is introduced at the desired 3-position.

Environmental considerations are also a focus in recent studies involving 1-(bromomethyl)-3-methyl-naphthalene. Scientists are investigating its biodegradation pathways and toxicity profiles to ensure that its use in industrial applications does not pose risks to ecosystems. Preliminary findings suggest that under aerobic conditions, microbial communities can metabolize this compound through oxidative pathways, though further research is needed to fully understand its environmental fate.

In conclusion, 1-(bromomethyl)-3-methyl-naphthalene (CAS No. 64977-27-1) stands out as a versatile molecule with applications spanning materials science, drug discovery, and environmental chemistry. Its unique structure and reactivity make it a valuable tool for researchers seeking to develop innovative solutions across these fields. As ongoing studies continue to uncover new insights into its properties and potential uses, this compound is poised to play an increasingly important role in both academic research and industrial applications.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:64977-27-1)Naphthalene,1-(bromomethyl)-3-methyl-
A1040214
Purity:99%/99%/99%/99%
Quantity:1g/5g/500mg/100mg
Price ($):1679.0/6249.0/893.0/500.0
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