Cas no 13726-18-6 (1-Chloro-4-(chloromethyl)-2-methoxybenzene)

1-Chloro-4-(chloromethyl)-2-methoxybenzene structure
13726-18-6 structure
Product Name:1-Chloro-4-(chloromethyl)-2-methoxybenzene
CAS No:13726-18-6
MF:C8H8Cl2O
MW:191.054520606995
MDL:MFCD18393581
CID:1091746
PubChem ID:57609443
Update Time:2025-04-23

1-Chloro-4-(chloromethyl)-2-methoxybenzene Chemical and Physical Properties

Names and Identifiers

    • 1-Chloro-4-(chloromethyl)-2-methoxybenzene
    • Benzene, 1-chloro-4-(chloromethyl)-2-methoxy-
    • 4-chloro-3-methoxybenzyl chloride
    • DB-147432
    • 13726-18-6
    • SCHEMBL2974160
    • EN300-246603
    • WMRRGRXKYOAUQD-UHFFFAOYSA-N
    • DTXSID50727311
    • A908153
    • MDL: MFCD18393581
    • Inchi: 1S/C8H8Cl2O/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4H,5H2,1H3
    • InChI Key: WMRRGRXKYOAUQD-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(CCl)=CC=1OC

Computed Properties

  • Exact Mass: 189.9952203g/mol
  • Monoisotopic Mass: 189.9952203g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 119
  • 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: 9.2?2

1-Chloro-4-(chloromethyl)-2-methoxybenzene Security Information

  • Storage Condition:Sealed in dry,2-8°C

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Additional information on 1-Chloro-4-(chloromethyl)-2-methoxybenzene

Professional Introduction of 1-Chloro-4-(chloromethyl)-2-methoxybenzene (CAS No. 13726-18-6)

1-Chloro-4-(chloromethyl)-2-methoxybenzene, also known by its CAS registry number 13726-18-6, is a chlorinated aromatic compound that has garnered significant attention in the field of organic chemistry and biomedical research. This compound features a unique combination of functional groups, including a chlorine atom at position 1, a chloromethyl group at position 4, and a methoxy group at position 2 on the benzene ring. These substituents make it a versatile building block for various chemical reactions and applications.

The structural elucidation of 1-Chloro-4-(chloromethyl)-2-methoxybenzene reveals its potential utility in drug discovery and development. Recent studies have highlighted the importance of such chlorinated aromatic compounds in the synthesis of bioactive molecules, including anticancer agents and neuroprotective drugs. The presence of multiple chlorine atoms and a methoxy group enhances the compound's reactivity and ability to participate in diverse chemical transformations.

One of the key advantages of this compound is its stability under various reaction conditions. This makes it an ideal candidate for use in multi-step synthesis protocols, where maintaining the integrity of functional groups is crucial. Furthermore, the availability of CAS No 13726-18-6 in commercial quantities has facilitated its incorporation into research workflows, enabling scientists to explore its applications without significant delays.

In the realm of biomedical research, the compound's potential as a precursor for more complex molecules has been extensively investigated. For instance, researchers have explored its role in the synthesis of chlorinated flavonoids, which are known for their antioxidant and anti-inflammatory properties. These findings underscore the importance of 1-Chloro-4-(chloromethyl)-2-methoxybenzene as a valuable intermediate in natural product chemistry.

Moreover, recent advancements in chemical biology have demonstrated the utility of this compound in targeted drug delivery systems. The presence of chloromethyl and methoxy groups allows for site-specific modifications, enabling the attachment of various bioactive moieties. This has opened new avenues for its use in the development of personalized therapies, where specificity and efficacy are paramount.

Another area of research that has seen considerable progress is the study of 1-Chloro-4-(chloromethyl)-2-methoxybenzene as a potential precursor for anticancer agents. The compound's ability to undergo nucleophilic substitution and coupling reactions makes it an excellent candidate for building biologically active molecules with specific pharmacokinetic profiles. Recent studies have focused on its role in the synthesis of taxane derivatives, which are widely used in cancer chemotherapy.

Furthermore, the compound's methoxy group contributes to its potential as a substrate for enzymatic transformations. This has been explored in the context of biocatalysis, where specific enzymes can mediate the conversion of this compound into more complex molecules with desired biological activities. Such approaches are increasingly being adopted in the pharmaceutical industry due to their sustainability and efficiency.

It is worth noting that the synthesis and characterization of 1-Chloro-4-(chloromethyl)-2-methoxybenzene have been optimized using modern analytical techniques. High-resolution mass spectrometry (HRMS) and nuclear magnetic resonance (NMR) spectroscopy have been instrumental in confirming its molecular structure and purity. These advancements ensure that researchers can rely on the compound's consistent quality, which is critical for reproducible experimental outcomes.

Looking ahead, the ongoing exploration of this compound's applications in drug discovery and chemical biology is expected to yield further insights into its utility. Collaborative efforts between chemists and biologists are likely to accelerate the development of novel therapies that leverage the unique properties of 1-Chloro-4-(chloromethyl)-2-methoxybenzene.

In conclusion, the compound identified by CAS No 13726-18-6, or 1-Chloro-4-(chloromethyl)-2-methoxybenzene, represents a valuable asset in the toolkit of organic chemists and biomedical researchers. Its versatile structure, combined with its proven utility in drug synthesis and chemical biology, positions it as a key player in advancing innovative therapeutic solutions.

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