Cas no 3535-37-3 (3,4-Dimethoxybenzoyl chloride)
3,4-Dimethoxybenzoyl chloride Chemical and Physical Properties
Names and Identifiers
-
- 3,4-Dimethoxybenzoyl chloride
- 3,4-DIMETHOXYBENZENE-1-CARBONYL CHLORIDE
- 4-bromo-2-methylphenol
- 3,4-dimethoxybenzoic acid chloride
- 3,4-dimethoxybenzoic chloride
- 3,4-dimethoxyphenylcarboxylic chloride
- Veratroyl chloride
- 3,4-Dimethoxybenzoylchloride
- Benzoyl chloride, 3,4-dimethoxy-
- 3,4-Dimethoxy-1-benzenecarbonyl chloride
- 3,4-dimethoxy benzoyl chloride
- 3,4-dimethoxy-benzoyl chloride
- VIOBGCWEHLRBEP-UHFFFAOYSA-N
- Veratroylchlorid
- zlchem 1258
- KSC225M7T
- 3,4-dimethyoxybenzoyl chloride
- ZLE0033
- KS-
- D4093
- F2190-0052
- STR04716
- InChI=1/C9H9ClO3/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H
- DTXSID30188840
- EINECS 222-568-0
- AKOS009097001
- 3,4-Dimethoxybenzoyl chloride, 98%
- FT-0600858
- 3535-37-3
- SCHEMBL184025
- D6WDP6K3S2
- EN300-24747
- UNII-D6WDP6K3S2
- NS00029835
- A822745
- W-106673
- MFCD00000674
- DB-006287
- STL370330
-
- MDL: MFCD00000674
- Inchi: 1S/C9H9ClO3/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3
- InChI Key: VIOBGCWEHLRBEP-UHFFFAOYSA-N
- SMILES: ClC(C1C=CC(=C(C=1)OC)OC)=O
- BRN: 783596
Computed Properties
- Exact Mass: 200.02400
- Monoisotopic Mass: 200.024
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 184
- 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: 2.6
- Topological Polar Surface Area: 35.5
- Surface Charge: 0
- Tautomer Count: nothing
Experimental Properties
- Color/Form: White crystalline powder
- Density: 1.2799 (rough estimate)
- Melting Point: 70.0 to 74.0 deg-C
- Boiling Point: 95-98°C 1mm
- Flash Point: 95-98°C/1mm
- Refractive Index: 1.5230 (estimate)
- PSA: 35.53000
- LogP: 2.08280
- Solubility: reaction
- Sensitiveness: Moisture Sensitive
3,4-Dimethoxybenzoyl chloride Security Information
-
Symbol:
- Prompt:dangerous
- Signal Word:Danger
- Hazard Statement: H290-H314-H341
- Warning Statement: P201-P202-P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P308+P313-P390-P405-P406-P501
- Hazardous Material transportation number:UN 3261 8/PG 2
- WGK Germany:3
- Hazard Category Code: 34
- Safety Instruction: S26-S36/37/39-S45
- FLUKA BRAND F CODES:10-21
-
Hazardous Material Identification:
- Safety Term:8
- Packing Group:II
- Risk Phrases:R34
- HazardClass:8
- PackingGroup:II
3,4-Dimethoxybenzoyl chloride Customs Data
- HS CODE:2918990090
- Customs Data:
China Customs Code:
2918990090Overview:
2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
3,4-Dimethoxybenzoyl chloride Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 018572-1g |
3,4-Dimethoxybenzoyl chloride |
3535-37-3 | 97% | 1g |
£18.00 | 2022-03-01 | |
| Fluorochem | 018572-10g |
3,4-Dimethoxybenzoyl chloride |
3535-37-3 | 97% | 10g |
£74.00 | 2022-03-01 | |
| Fluorochem | 018572-25g |
3,4-Dimethoxybenzoyl chloride |
3535-37-3 | 97% | 25g |
£161.00 | 2022-03-01 | |
| Fluorochem | 018572-50g |
3,4-Dimethoxybenzoyl chloride |
3535-37-3 | 97% | 50g |
£292.00 | 2022-03-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D135477-100g |
3,4-Dimethoxybenzoyl chloride |
3535-37-3 | ≥98.0%(GC) | 100g |
¥1036.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D135477-1g |
3,4-Dimethoxybenzoyl chloride |
3535-37-3 | ≥98.0%(GC) | 1g |
¥80.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D135477-25g |
3,4-Dimethoxybenzoyl chloride |
3535-37-3 | ≥98.0%(GC) | 25g |
¥324.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D135477-5g |
3,4-Dimethoxybenzoyl chloride |
3535-37-3 | ≥98.0%(GC) | 5g |
¥203.90 | 2023-09-03 | |
| Alichem | A015001192-250mg |
3,4-Dimethoxybenzoyl chloride |
3535-37-3 | 97% | 250mg |
$499.20 | 2023-09-02 | |
| Alichem | A015001192-500mg |
3,4-Dimethoxybenzoyl chloride |
3535-37-3 | 97% | 500mg |
$855.75 | 2023-09-02 |
3,4-Dimethoxybenzoyl chloride Suppliers
3,4-Dimethoxybenzoyl chloride Related Literature
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Krassimira P. Guerra,Rita Delgado Dalton Trans. 2008 539
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H. D. Locksley,I. G. Murray J. Chem. Soc. C 1970 392
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Md. Moaz Ahmed Asif,Susmita Roy Lisa,Nazmul Qais RSC Adv. 2023 13 11010
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4. Phenanthroindolizidine and related alkaloids: synthesis of tylophorine, septicine, and deoxytylophorinineJohn E. Cragg,Richard B. Herbert,Frederick B. Jackson,Christopher J. Moody,Ian T. Nicolson J. Chem. Soc. Perkin Trans. 1 1982 2477
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5. 162. The constituents of natural phenolic resins. Part V. Synthesis of dl-matairesinol dimethyl ether and dl-cubebinolideRobert D. Haworth,William Kelly,Thomas Richardson J. Chem. Soc. 1936 725
Additional information on 3,4-Dimethoxybenzoyl chloride
Introduction to 3,4-Dimethoxybenzoyl chloride (CAS No. 3535-37-3) and Its Emerging Applications in Chemical Biology
3,4-Dimethoxybenzoyl chloride, identified by the Chemical Abstracts Service Number (CAS No.) 3535-37-3, is a versatile organic compound that has garnered significant attention in the field of chemical biology due to its unique structural and chemical properties. This compound, characterized by a benzoyl chloride moiety substituted with two methoxy groups at the 3rd and 4th positions, serves as a crucial intermediate in the synthesis of various pharmacologically active molecules. Its reactivity and functionalization potential make it a valuable tool for researchers exploring novel therapeutic agents and biochemical pathways.
The benzoyl chloride functional group in 3,4-dimethoxybenzoyl chloride is highly reactive, enabling its participation in a wide range of chemical transformations. These include nucleophilic acyl substitutions, condensation reactions with amines to form amides, and coupling reactions in peptide synthesis. The presence of methoxy groups at the ortho positions enhances the compound's solubility in organic solvents and influences its electronic properties, making it an attractive candidate for further derivatization. Such characteristics have positioned 3,4-dimethoxybenzoyl chloride as a key building block in medicinal chemistry and synthetic organic chemistry.
In recent years, the pharmaceutical industry has seen a surge in interest for compounds derived from 3,4-dimethoxybenzoyl chloride due to their potential biological activities. For instance, derivatives of this compound have been investigated for their antimicrobial, anti-inflammatory, and anticancer properties. The methoxy groups contribute to the lipophilicity of the molecule, which is often a critical factor in drug absorption and efficacy. Furthermore, computational studies have suggested that modifications around the benzoyl chloride core can lead to enhanced binding affinity to biological targets.
One of the most compelling applications of 3,4-dimethoxybenzoyl chloride is in the synthesis of protease inhibitors. Proteases play a pivotal role in various physiological processes, including signal transduction and viral replication. Inhibiting specific proteases has been a successful strategy in developing drugs for conditions such as HIV/AIDS and cancer. Researchers have leveraged the reactivity of 3,4-dimethoxybenzoyl chloride to design molecules that selectively target these enzymes. For example, recent studies have demonstrated its utility in creating peptidomimetics—molecules mimicking natural peptides—that exhibit high specificity for certain proteases while minimizing off-target effects.
The role of 3,4-dimethoxybenzoyl chloride extends beyond drug development into the realm of biochemical research. Its ability to form stable amide bonds makes it an invaluable reagent in protein modification studies. Researchers utilize this compound to introduce fluorescent tags or affinity probes into proteins, facilitating structural and functional analyses. Additionally, its derivatives have been employed in studying enzyme mechanisms by serving as substrates or inhibitors. Such applications underscore the compound's importance in advancing our understanding of biological systems at the molecular level.
Advances in synthetic methodologies have further expanded the utility of 3,4-dimethoxybenzoyl chloride. Modern techniques such as flow chemistry and microwave-assisted synthesis have enabled more efficient and scalable production of its derivatives. These innovations not only reduce costs but also allow for rapid screening of large libraries of compounds—a critical step in drug discovery pipelines. Moreover, green chemistry principles have been integrated into its synthesis, minimizing waste and hazardous byproducts while maintaining high yields.
The future prospects for 3,4-dimethoxybenzoyl chloride are promising, with ongoing research exploring new applications and optimizing its use in various fields. As computational power increases and machine learning models become more sophisticated, virtual screening methods are being employed to identify novel derivatives with enhanced properties. This interdisciplinary approach combines experimental chemistry with computational biology to accelerate the discovery process.
In conclusion,3,4-Dimethoxybenzoyl chloride (CAS No. 3535-37-3) remains a cornerstone compound in chemical biology and pharmaceutical research due to its reactivity, versatility, and potential biological activities. Its contributions to drug development,protease inhibition,and biochemical studies highlight its significance as an intermediate for synthesizing complex molecules. As research continues,the applications of this compound are expected to grow,further solidifying its role as an essential tool for scientists worldwide.
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