Cas no 1699-59-8 (3,4-Dibenzyl-oxybenzyl Chloride)
3,4-Dibenzyl-oxybenzyl Chloride Chemical and Physical Properties
Names and Identifiers
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- 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:
- 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:
- Safety Term:S24/25;S26
- Packing Group:III
- Risk Phrases:R34
- Packing Group:III
- HazardClass:8
- PackingGroup:Ⅱ
- Storage Condition:2-8°C
3,4-Dibenzyl-oxybenzyl Chloride Customs Data
- HS CODE:2909309090
- Customs Data:
China Customs Code:
2909309090Overview:
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 >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 187259-1G |
3,4-Dibenzyl-oxybenzyl Chloride |
1699-59-8 | 97% | 1G |
¥614.62 | 2022-02-24 | |
| TRC | D533913-50mg |
3,4-Dibenzyl-oxybenzyl Chloride |
1699-59-8 | 50mg |
$ 50.00 | 2022-06-05 | ||
| TRC | D533913-100mg |
3,4-Dibenzyl-oxybenzyl Chloride |
1699-59-8 | 100mg |
$ 65.00 | 2022-06-05 | ||
| TRC | D533913-500mg |
3,4-Dibenzyl-oxybenzyl Chloride |
1699-59-8 | 500mg |
$ 185.00 | 2022-06-05 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X38735-5g |
(((4-(Chloromethyl)-1,2-phenylene)bis(oxy))bis(methylene))dibenzene |
1699-59-8 | 98% | 5g |
¥1892.0 | 2024-07-18 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X38735-1g |
(((4-(Chloromethyl)-1,2-phenylene)bis(oxy))bis(methylene))dibenzene |
1699-59-8 | 98% | 1g |
¥541.0 | 2024-07-18 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X38735-250mg |
(((4-(Chloromethyl)-1,2-phenylene)bis(oxy))bis(methylene))dibenzene |
1699-59-8 | 98% | 250mg |
¥211.0 | 2024-07-18 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X38735-100mg |
(((4-(Chloromethyl)-1,2-phenylene)bis(oxy))bis(methylene))dibenzene |
1699-59-8 | 98% | 100mg |
¥140.0 | 2024-07-18 | |
| SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd. | BD81689-100mg |
(((4-(Chloromethyl)-1,2-phenylene)bis(oxy))bis(methylene))dibenzene |
1699-59-8 | 98% | 100mg |
¥133.0 | 2022-03-01 | |
| SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd. | BD81689-250mg |
(((4-(Chloromethyl)-1,2-phenylene)bis(oxy))bis(methylene))dibenzene |
1699-59-8 | 98% | 250mg |
¥200.0 | 2022-03-01 |
3,4-Dibenzyl-oxybenzyl Chloride Suppliers
3,4-Dibenzyl-oxybenzyl Chloride Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Xinyi Liu,Huan Chen,Jing Lin,Yi Li,Liangqia Guo Chem. Commun., 2019,55, 2972-2975
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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.
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