Cas no 33688-50-5 (1-(benzyloxy)-4-(chloromethyl)-2-methoxybenzene)

1-(benzyloxy)-4-(chloromethyl)-2-methoxybenzene structure
33688-50-5 structure
Product Name:1-(benzyloxy)-4-(chloromethyl)-2-methoxybenzene
CAS No:33688-50-5
MF:C15H15ClO2
MW:262.731403589249
CID:918280
PubChem ID:297962
Update Time:2025-09-27

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

Names and Identifiers

    • 1-(benzyloxy)-4-(chloromethyl)-2-methoxybenzene
    • 4-(chloromethyl)-2-methoxy-1-phenylmethoxybenzene
    • 1-benzyloxy-4-chloromethyl-2-methoxy-benzene
    • 4-benzyloxy-3-methoxybenzyl chloride
    • 4-benzyloxy-3-methoxy-benzyl chloride
    • AC1L6SEU
    • NSC169519
    • SureCN5387584
    • RWYQBTIHSCUXJR-UHFFFAOYSA-N
    • AKOS004903252
    • NSC-169519
    • 33688-50-5
    • DS-020466
    • 4-(chloromethyl)-2-methoxy-1-(phenylmethoxy)benzene
    • SCHEMBL5387584
    • DTXSID00305163
    • MDL: MFCD00195611
    • Inchi: 1S/C15H15ClO2/c1-17-15-9-13(10-16)7-8-14(15)18-11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3
    • InChI Key: RWYQBTIHSCUXJR-UHFFFAOYSA-N
    • SMILES: ClCC1C=CC(=C(C=1)OC)OCC1C=CC=CC=1

Computed Properties

  • Exact Mass: 262.07615
  • Monoisotopic Mass: 262.076
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 229
  • 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: 3.5
  • Topological Polar Surface Area: 18.5?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 380.8±32.0 °C at 760 mmHg
  • Flash Point: 141.5±20.3 °C
  • Refractive Index: 1.567
  • PSA: 18.46
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

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

1-(benzyloxy)-4-(chloromethyl)-2-methoxybenzene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B117230-500mg
1-(Benzyloxy)-4-(chloromethyl)-2-methoxybenzene
33688-50-5
500mg
$ 925.00 2022-06-07
TRC
B117230-1000mg
1-(Benzyloxy)-4-(chloromethyl)-2-methoxybenzene
33688-50-5
1g
$ 1530.00 2022-06-07

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

Chemical Profile of 1-(benzyloxy)-4-(chloromethyl)-2-methoxybenzene (CAS No. 33688-50-5)

1-(benzyloxy)-4-(chloromethyl)-2-methoxybenzene, identified by its Chemical Abstracts Service (CAS) number 33688-50-5, is a significant compound in the realm of organic chemistry and pharmaceutical research. This aromatic heterocyclic molecule features a benzyloxy substituent at the C1 position, a chloromethyl group at the C4 position, and a methoxy group at the C2 position, making it a versatile intermediate for synthesizing various bioactive molecules.

The structural configuration of this compound imparts unique chemical properties that make it valuable in synthetic chemistry. The presence of both electron-donating (methoxy) and electron-withdrawing (chloromethyl) groups enhances its reactivity, allowing for diverse functionalization strategies. Such characteristics are particularly useful in the development of pharmaceuticals, where precise molecular modifications can fine-tune biological activity.

In recent years, 1-(benzyloxy)-4-(chloromethyl)-2-methoxybenzene has garnered attention in the field of medicinal chemistry due to its potential applications in drug discovery. Researchers have explored its utility as a precursor in the synthesis of novel compounds targeting various therapeutic areas. For instance, studies have demonstrated its role in generating derivatives with anti-inflammatory and anticancer properties.

The benzyloxy group in this molecule can be readily removed or modified through various chemical reactions, such as hydrolysis or nucleophilic substitution, providing chemists with flexibility in designing complex molecular architectures. This adaptability has been leveraged in the development of protease inhibitors, where benzyloxy-substituted intermediates have shown promise in enhancing binding affinity to target enzymes.

Moreover, the chloromethyl moiety serves as a reactive handle for further functionalization. It can undergo nucleophilic addition reactions to introduce diverse functional groups, including amines and alcohols, which are crucial for constructing pharmacophores. Such modifications have been explored in the synthesis of small-molecule drugs designed to interact with specific biological receptors.

Recent advancements in computational chemistry have also highlighted the significance of 1-(benzyloxy)-4-(chloromethyl)-2-methoxybenzene as a scaffold for drug design. Molecular modeling studies suggest that derivatives of this compound exhibit favorable interactions with biological targets, making them attractive candidates for further optimization. These simulations have guided experimental efforts toward identifying lead compounds with enhanced efficacy and reduced toxicity.

The pharmaceutical industry has been particularly interested in exploring the potential of this compound as a building block for next-generation therapeutics. Its structural features align well with current trends in drug development, which emphasize targeted interventions and minimal side effects. By leveraging its reactivity and versatility, researchers aim to develop novel treatments for diseases ranging from cancer to neurodegenerative disorders.

Industrial applications of 1-(benzyloxy)-4-(chloromethyl)-2-methoxybenzene extend beyond pharmaceuticals into agrochemicals and specialty chemicals. Its derivatives have been investigated as intermediates for crop protection agents, where their structural motifs contribute to improved stability and bioavailability. This broad utility underscores the compound's importance as a chemical building block across multiple sectors.

In conclusion, 1-(benzyloxy)-4-(chloromethyl)-2-methoxybenzene (CAS No. 33688-50-5) represents a fascinating molecule with substantial potential in chemical synthesis and drug discovery. Its unique structural features and reactivity make it a valuable asset for researchers seeking to develop innovative therapeutic agents. As scientific understanding advances, further exploration of this compound is expected to yield novel insights and applications that will benefit society.

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