Cas no 1664-27-3 (4,5-Dimethoxycatechol)
4,5-Dimethoxycatechol Chemical and Physical Properties
Names and Identifiers
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- 4,5-Dimethoxybenzene-1,2-diol
- 1,2-Benzenediol,4,5-dimethoxy-
- 4,5-Dimethoxycatechol
- 1,2-DIHYDROXY-4,5-DIMETHOXYBENZENE
- AKOS006291804
- FT-0677535
- A882325
- SCHEMBL1987450
- BB 0260017
- DTXSID00550030
- J-010278
- 1664-27-3
-
- MDL： MFCD06656508
- Inchi： 1S/C8H10O4/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4,9-10H,1-2H3
- InChI Key： ASYWQJACGNQHIF-UHFFFAOYSA-N
- SMILES： O(C)C1C=C(C(=CC=1OC)O)O
Computed Properties
- Exact Mass: 170.05800
- Monoisotopic Mass: 170.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 123
- 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: 1.2
- Topological Polar Surface Area: 58.9?2
Experimental Properties
- Density: 1.3±0.1 g/cm3
- Melting Point: Not available
- Boiling Point: 354.1±37.0 °C at 760 mmHg
- Flash Point: 168.0±26.5 °C
- Refractive Index: 1.559
- PSA: 58.92000
- LogP: 1.11500
- Vapor Pressure: 0.0±0.8 mmHg at 25°C
4,5-Dimethoxycatechol Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
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Warning Statement：
P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care - Safety Instruction： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
-
Hazardous Material Identification：
- HazardClass：IRRITANT
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
4,5-Dimethoxycatechol Customs Data
- HS CODE：2909500000
- Customs Data：
China Customs Code:
2909500000Overview:
2909500000. Ether phenol\Ether alcohol phenol and its halogenation\sulfonation\Nitrosative or nitrosative derivatives. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2909500000 ether-phenols, ether-alcohol-phenols 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%
4,5-Dimethoxycatechol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019086962-1g |
4,5-Dimethoxybenzene-1,2-diol |
1664-27-3 | 98% | 1g |
436.00 USD | 2021-06-17 | |
| TRC | D475955-1mg |
4,5-Dimethoxycatechol |
1664-27-3 | 1mg |
$ 50.00 | 2022-06-05 | ||
| TRC | D475955-2mg |
4,5-Dimethoxycatechol |
1664-27-3 | 2mg |
$ 65.00 | 2022-06-05 | ||
| TRC | D475955-10mg |
4,5-Dimethoxycatechol |
1664-27-3 | 10mg |
$ 80.00 | 2022-06-05 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 016655-100mg |
4,5-Dimethoxycatechol |
1664-27-3 | 98% | 100mg |
1461.0CNY | 2021-07-13 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 016655-100mg |
4,5-Dimethoxycatechol |
1664-27-3 | 98% | 100mg |
1461CNY | 2021-05-07 | |
| Ambeed | A425858-1g |
4,5-Dimethoxybenzene-1,2-diol |
1664-27-3 | 98% | 1g |
$595.0 | 2024-04-23 | |
| A2B Chem LLC | AA88838-100mg |
4,5-Dimethoxybenzene-1,2-diol |
1664-27-3 | ≥97% | 100mg |
$226.00 | 2024-04-20 | |
| Crysdot LLC | CD12135301-1g |
4,5-Dimethoxybenzene-1,2-diol |
1664-27-3 | 98% | 1g |
$535 | 2024-07-24 | |
| SHENG KE LU SI SHENG WU JI SHU | sc-299602-100mg |
4,5-Dimethoxycatechol, |
1664-27-3 | ≥97% | 100mg |
￥1279.00 | 2023-09-05 |
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4,5-Dimethoxycatechol Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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4. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
Additional information on 4,5-Dimethoxycatechol
Introduction to 4,5-Dimethoxycatechol (CAS No. 1664-27-3)
4,5-Dimethoxycatechol, with the chemical formula C?H?O?, is a significant intermediate in organic synthesis and pharmaceutical research. This compound belongs to the class of polyphenolic derivatives and has garnered considerable attention due to its versatile applications in medicinal chemistry and material science. The presence of two methoxy groups at the 4th and 5th positions relative to the catechol core imparts unique reactivity and functional properties, making it a valuable building block for the synthesis of more complex molecules.
The CAS No. 1664-27-3 identifier is a globally recognized numerical code that uniquely characterizes this chemical substance. This standardized numbering system ensures precise identification and differentiation of chemicals in scientific literature, industrial applications, and regulatory compliance. The compound’s stability under various conditions and its solubility in polar solvents further enhance its utility in synthetic protocols.
In recent years, 4,5-dimethoxycatechol has been extensively studied for its potential in developing novel therapeutic agents. Its structural motif, featuring a catechol backbone with methoxy substitutions, is reminiscent of several bioactive natural products and pharmacologically relevant compounds. Researchers have leveraged this scaffold to design molecules with antimicrobial, anti-inflammatory, and anticancer properties.
One of the most compelling aspects of 4,5-dimethoxycatechol is its role as a precursor in the synthesis of flavonoids and other polyphenolic compounds. Flavonoids are a vast class of natural products known for their health benefits, including antioxidant and cardioprotective effects. The methoxy groups in 4,5-dimethoxycatechol can be further functionalized through oxidation or reduction reactions to yield derivatives with enhanced biological activity.
Recent advancements in green chemistry have also highlighted the importance of 4,5-dimethoxycatechol as a sustainable intermediate. Researchers are exploring biocatalytic routes to produce this compound with minimal environmental impact. For instance, enzymatic oxidation processes have been optimized to generate 4,5-dimethoxycatechol from more readily available starting materials, reducing waste and energy consumption.
The pharmaceutical industry has shown particular interest in 4,5-dimethoxycatechol due to its potential as a kinase inhibitor. Kinases are enzymes involved in numerous cellular processes, and their dysregulation is often associated with diseases such as cancer. By designing analogs of 4,5-dimethoxycatechol, scientists aim to develop small-molecule inhibitors that can selectively target aberrant kinases without affecting normal cellular functions.
In material science, 4,5-dimethoxycatechol has been utilized in the development of advanced polymers and coatings. Its ability to form stable radicals makes it an excellent candidate for polymerization reactions that yield materials with improved mechanical strength and thermal stability. These properties are particularly valuable in aerospace and automotive applications where performance under extreme conditions is critical.
The synthesis of 4,5-dimethoxycatechol can be achieved through multiple pathways, including catalytic hydrogenation of resorcinol derivatives or direct methylation of catechol using methylating agents. The choice of synthetic route often depends on factors such as yield efficiency, cost-effectiveness, and scalability. Recent studies have focused on optimizing these processes to improve both economic viability and environmental sustainability.
Another area where 4,5-dimethoxycatechol has made significant contributions is in the field of organic electronics. Its conjugated aromatic system allows for efficient charge transport properties, making it suitable for use in organic light-emitting diodes (OLEDs) and photovoltaic cells. Researchers are investigating ways to incorporate 4,5-dimethoxycatechol into organic semiconductors to enhance device performance and longevity.
The chemical reactivity of 4,5-dimethoxycatechol is further underscored by its participation in various coupling reactions such as Suzuki-Miyaura coupling and Heck reaction. These transformations enable the introduction of diverse functional groups into the molecule, expanding its synthetic utility. For instance, palladium-catalyzed cross-coupling reactions have been employed to attach aryl or vinyl moieties to the 4,5-dimethoxycatechol scaffold.
In conclusion, 4 , 5 - Dimethoxycatechol ( CAS No . 1664 - 27 - 3 ) remains a cornerstone compound in modern chemical research . Its broad applicability across multiple disciplines underscores its importance as both a synthetic intermediate and a potential therapeutic agent . As scientific understanding advances , it is likely that new applications for this versatile molecule will continue to emerge , driving innovation in medicine , materials science , and beyond .
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