Cas no 1699-59-8 (3,4-Dibenzyl-oxybenzyl Chloride)

3,4-Dibenzyloxybenzyl chloride is a benzyl-protected derivative of 3,4-dihydroxybenzyl chloride, commonly utilized as an intermediate in organic synthesis. Its key advantage lies in the benzyl ether protecting groups, which enhance stability and selectivity during reactions, particularly in multi-step synthetic routes. This compound is valuable in pharmaceutical and fine chemical applications, where controlled functionalization of aromatic systems is required. The chloride moiety offers reactivity for further transformations, such as nucleophilic substitutions or coupling reactions. The benzyl groups can be selectively removed under mild conditions, allowing for precise deprotection strategies. Its well-defined structure and synthetic versatility make it a useful reagent for constructing complex molecular architectures.
3,4-Dibenzyl-oxybenzyl Chloride structure
1699-59-8 structure
Product Name:3,4-Dibenzyl-oxybenzyl Chloride
CAS No:1699-59-8
MF:C21H19ClO2
MW:338.827365159988
MDL:MFCD00004778
CID:180380
PubChem ID:24851261
Update Time:2025-11-06

3,4-Dibenzyl-oxybenzyl Chloride Chemical and Physical Properties

Names and Identifiers

    • Benzene,4-(chloromethyl)-1,2-bis(phenylmethoxy)-
    • 3,4-Dibenzyloxybenzylchloride
    • 4-(chloromethyl)-1,2-bis(phenylmethoxy)benzene
    • 3,4-Bis(Benzyloxy)benzyl chloride
    • 3,5-bis(benzyloxy)-alpha-chlorotoluene
    • 3,4-DIBENZYLOXYBENZYL CHLORIDE
    • 3,4-Dibenzyloxybenzyl chloride,99%
    • 3,4-DIBENZYLOXYBENZYL CHLORIDE 99%
    • 3,4-dibenzyloxy benzylchloride
    • SCHEMBL2074825
    • DTXSID90168769
    • 9H-CARBAZOLE-2-CARBOXYLICACIDMETHYLESTER
    • Benzene, 4-(chloromethyl)-1,2-bis(phenylmethoxy)-
    • FT-0741075
    • Toluene, 3,4-bis(benzyloxy)-.alpha.-chloro-
    • 3,4-bis-benzyloxy-benzyl chloride
    • J-010590
    • NS00025574
    • 3,4-Dibenzyloxybenzyl chloride, 97%
    • AS-77001
    • MN3EA7E8G9
    • NSC144249
    • 1,2-bis-benzyloxy-4-chloromethyl-benzene
    • EINECS 216-927-0
    • D94701
    • 1,2-Bis(benzyloxy)-4-(chloromethyl)benzene #
    • NSC 144249
    • (4-(chloromethyl)-1,2-phenylene)bis(oxy)bis(methylene)dibenzene
    • NSC-144249
    • (((4-(Chloromethyl)-1,2-phenylene)bis(oxy))bis(methylene))dibenzene
    • AKOS015889379
    • 1699-59-8
    • UNII-MN3EA7E8G9
    • DTXCID1091260
    • 1,2-Bis(benzyloxy)-4-(chloromethyl)benzene
    • 3,4-Dibenzyl-oxybenzyl Chloride
    • MDL: MFCD00004778
    • Inchi: 1S/C21H19ClO2/c22-14-19-11-12-20(23-15-17-7-3-1-4-8-17)21(13-19)24-16-18-9-5-2-6-10-18/h1-13H,14-16H2
    • InChI Key: DDAGFZBQVSGXJN-UHFFFAOYSA-N
    • SMILES: ClCC1C=CC(=C(C=1)OCC1C=CC=CC=1)OCC1C=CC=CC=1

Computed Properties

  • Exact Mass: 338.10700
  • Monoisotopic Mass: 338.107
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 7
  • Complexity: 337
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 18.5A^2

Experimental Properties

  • Color/Form: White or light beige powder
  • Density: 1.0887 (rough estimate)
  • Melting Point: 41-43?°C (lit.)
  • Boiling Point: 455.07°C (rough estimate)
  • Flash Point: Degrees Fahrenheit:235.4°F
    Degrees Celsius:113°C
  • Refractive Index: 1.5330 (estimate)
  • PSA: 18.46000
  • LogP: 5.58340
  • Solubility: Not determined
  • Vapor Pressure: 0.0±1.2 mmHg at 25°C

3,4-Dibenzyl-oxybenzyl Chloride Security Information

  • Symbol: GHS05 GHS07
  • Signal Word:Danger
  • Hazard Statement: H314-H335
  • Warning Statement: P261-P280-P305+P351+P338-P310
  • Hazardous Material transportation number:UN 3261 8/PG 2
  • WGK Germany:3
  • Hazard Category Code: 34-36/37
  • Safety Instruction: S24/25-S26
  • Hazardous Material Identification: C
  • Safety Term:S24/25;S26
  • Packing Group:III
  • Risk Phrases:R34
  • Packing Group:III
  • HazardClass:8
  • PackingGroup:
  • Storage Condition:2-8°C

3,4-Dibenzyl-oxybenzyl Chloride Customs Data

  • HS CODE:2909309090
  • Customs Data:

    China Customs Code:

    2909309090

    Overview:

    2909309090 Other aromatic ethers and their halogenated derivatives\sulfonation\Nitrated derivative(Including nitrosative derivatives).Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

3,4-Dibenzyl-oxybenzyl Chloride Pricemore >>

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3,4-Dibenzyl-oxybenzyl Chloride Suppliers

Amadis Chemical Company Limited
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(CAS:1699-59-8)3,4-Dibenzyl-oxybenzyl Chloride
Order Number:A1199451
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 02:39
Price ($):328.0

3,4-Dibenzyl-oxybenzyl Chloride Related Literature

Additional information on 3,4-Dibenzyl-oxybenzyl Chloride

Introduction to 3,4-Dibenzyl-oxybenzyl Chloride (CAS No. 1699-59-8)

3,4-Dibenzyl-oxybenzyl Chloride, identified by the Chemical Abstracts Service Number (CAS No.) 1699-59-8, is a significant compound in the realm of organic chemistry and pharmaceutical research. This compound, featuring a unique structural framework with benzyl and oxybenzyl groups, has garnered attention due to its versatile applications in synthetic chemistry and potential roles in drug development. The presence of chlorine atoms in its molecular structure enhances its reactivity, making it a valuable intermediate in various chemical transformations.

The molecular formula of 3,4-Dibenzyl-oxybenzyl Chloride is C17H17O2Cl, reflecting its complex aromatic and functional group composition. This structure not only contributes to its chemical stability but also allows for diverse modifications, which are crucial for tailoring its properties for specific applications. In recent years, the compound has been explored in the synthesis of fine chemicals and pharmaceutical intermediates, where its ability to undergo nucleophilic substitution reactions is particularly advantageous.

In the context of pharmaceutical research, 3,4-Dibenzyl-oxybenzyl Chloride has been investigated for its potential role as a building block in the development of novel therapeutic agents. The benzyl and oxybenzyl groups are known for their ability to interact with biological targets, making them attractive for medicinal chemistry applications. Researchers have leveraged these interactions to design molecules with enhanced binding affinity and selectivity. For instance, derivatives of this compound have been studied for their inhibitory effects on certain enzymes and receptors, which are implicated in various diseases.

One of the most compelling aspects of 3,4-Dibenzyl-oxybenzyl Chloride is its utility in cross-coupling reactions, which are fundamental to modern synthetic organic chemistry. The chlorine substituent facilitates palladium-catalyzed reactions such as Suzuki-Miyaura and Heck couplings, enabling the construction of complex molecular architectures. These reactions are pivotal in the synthesis of biaryl compounds, which are prevalent in many active pharmaceutical ingredients (APIs). The ability to introduce diverse functional groups through these reactions makes 3,4-Dibenzyl-oxybenzyl Chloride a versatile tool for chemists working on drug discovery and development.

The compound's significance extends beyond synthetic methodologies; it also plays a role in material science and polymer chemistry. The aromatic nature of its structure contributes to thermal stability and mechanical strength when incorporated into polymers or advanced materials. Researchers have explored its potential use in creating high-performance plastics and coatings that exhibit improved durability and chemical resistance. These applications highlight the broad utility of 3,4-Dibenzyl-oxybenzyl Chloride across multiple scientific disciplines.

Recent advancements in computational chemistry have further enhanced our understanding of 3,4-Dibenzyl-oxybenzyl Chloride's reactivity and potential applications. Molecular modeling studies have provided insights into how this compound interacts with biological targets at the atomic level. These insights are crucial for designing molecules with optimized pharmacokinetic properties and reduced side effects. By leveraging computational tools, researchers can predict the outcomes of chemical reactions involving 3,4-Dibenzyl-oxybenzyl Chloride, thereby accelerating the drug discovery process.

The synthesis of 3,4-Dibenzyl-oxybenzyl Chloride itself is an intriguing aspect that has been subject to innovation over the years. Traditional synthetic routes often involve multi-step processes that require careful optimization to achieve high yields and purity. However, recent developments in green chemistry have introduced more sustainable methods for producing this compound. For example, catalytic processes that minimize waste and energy consumption have been developed, aligning with global efforts to promote environmentally friendly chemical manufacturing.

In conclusion,3,4-Dibenzyl-oxybenzyl Chloride (CAS No. 1699-59-8) stands as a testament to the ingenuity of modern organic chemistry. Its unique structural features make it a valuable intermediate in pharmaceutical synthesis, material science, and beyond. As research continues to uncover new applications for this compound,3,4-Dibenzyl-oxybenzyl Chloride is poised to remain at the forefront of scientific innovation.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:1699-59-8)3,4-Dibenzyl-oxybenzyl Chloride
A1199451
Purity:99%
Quantity:5g
Price ($):328.0
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