Cas no 6836-19-7 (7-Methoxy-1-tetralone)
7-Methoxy-1-tetralone Chemical and Physical Properties
Names and Identifiers
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- 7-Methoxy-1-tetralone
- 7-methoxy-1,2,3,4-tetrahydronaphthalen-1-one
- 7-methoxyl-1-tetralone
- 7-Methoxy-1-tetralon
- 7-methoxy-3,4-dihydro-2H-naphthalen-1-one
- : 7-Methoxy-1-tetralone
- EIF2C2 polyclonal antibody (A01)
- 3,4-Dihydro-7-methoxy-1(2H)-naphthalenone
- 7-Methoxy-1,2,3,4-tetrahydro-1-naphthalenone
- 7-Methoxy-1,2,3,4-tetrahydro-1-oxonaphthalene
- [ "" ]
- 7-Methoxy-1-tetralone CAS NO:6836-19-7
- 7-METHOXY-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE
- 7-methoxytetralin-1-one
- 1(2H)-Naphthalenone, 3,4-dihydro-7-methoxy-
- GABLTKRIYDNDIN-UHFFFAOYSA-N
- 7-methoxy-2,3,4-trihydronaphthalen-1-one
- 7-methoxytetralone
- NSC97611
- 7-methoxy-tetralone
- 7-Methoxy tetralone
- 7-methoxy-1-
- 7-methoxy-1-tetraione
- PubChem17911
- Agomelatine impurity 8
- Z1008430834
- CS-W001925
- W-104676
- H4FZ2W25VZ
- FT-0621444
- SY014026
- InChI=1/C11H12O2/c1-13-9-6-5-8-3-2-4-11(12)10(8)7-9/h5-7H,2-4H2,1H3
- NCIOpen2_001805
- 7-Methoxy-1-tetralone, 99%
- AC-24405
- DG-0040
- AMY490
- MFCD00001696
- PD159054
- NS00036550
- CHEBI:194932
- BCP33967
- UNII-H4FZ2W25VZ
- 7-methoxy-3,4-dihydro-1(2 H)-naphthalenone
- NSC 97611
- Dezocine Intermediates
- NSC-97611
- 7-methoxy-3,4-dihydro-1 (2h)-naphthalenone
- 7-methoxy-3,4-dihydronaphthalene-1(2H)-one
- EINECS 229-916-0
- GABLTKRIYDNDIN-UHFFFAOYSA-
- CHEMBL5186804
- AB00146
- HY-W001925
- EN300-91811
- M2092
- SCHEMBL120284
- 7-Methoxy-3,4-dihydro-1(2H)-naphthalenone #
- 7-Methoxy-3,4-dihydro-1(2H)-naphthalenone
- AC-1074
- AKOS005199154
- 6836-19-7
- DTXSID30218494
- DB-001013
-
- MDL: MFCD00001696
- Inchi: 1S/C11H12O2/c1-13-9-6-5-8-3-2-4-11(12)10(8)7-9/h5-7H,2-4H2,1H3
- InChI Key: GABLTKRIYDNDIN-UHFFFAOYSA-N
- SMILES: O=C1C2C=C(C=CC=2CCC1)OC
- BRN: 2208389
Computed Properties
- Exact Mass: 176.08400
- Monoisotopic Mass: 176.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 200
- 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: 2
- XLogP3: 2
- Topological Polar Surface Area: 26.3
Experimental Properties
- Color/Form: Powder
- Density: 1.124
- Melting Point: 60.0 to 64.0 deg-C
- Boiling Point: 312.3°C at 760 mmHg
- Flash Point: 145.8℃
- Refractive Index: 1.548
- PSA: 26.30000
- LogP: 2.21420
7-Methoxy-1-tetralone Security Information
- Signal Word:Warning
- Hazard Statement: H302-H315-H319-H332-H335
- Warning Statement: P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 20/21/22-36/37/38
- Safety Instruction: S22-S24/25
-
Hazardous Material Identification:
- Safety Term:S22;S24/25
- Storage Condition:Store at room temperature
- Risk Phrases:R20/21/22
7-Methoxy-1-tetralone Customs Data
- HS CODE:2914509090
- Customs Data:
China Customs Code:
2914509090Overview:
2914509090 Ketones containing other oxygen-containing groups. 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, Acetone declared packaging
Summary:
HS:2914509090 other ketones with other oxygen function VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%
7-Methoxy-1-tetralone Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 076719-1g |
7-Methoxy-1-tetralone |
6836-19-7 | 95% | 1g |
£10.00 | 2022-03-01 | |
| Fluorochem | 076719-10g |
7-Methoxy-1-tetralone |
6836-19-7 | 95% | 10g |
£13.00 | 2022-03-01 | |
| Fluorochem | 076719-25g |
7-Methoxy-1-tetralone |
6836-19-7 | 95% | 25g |
£27.00 | 2022-03-01 | |
| Fluorochem | 076719-100g |
7-Methoxy-1-tetralone |
6836-19-7 | 95% | 100g |
£88.00 | 2022-03-01 | |
| Fluorochem | 076719-1kg |
7-Methoxy-1-tetralone |
6836-19-7 | 95% | 1kg |
£554.00 | 2022-03-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | M119779-1g |
7-Methoxy-1-tetralone |
6836-19-7 | 99% | 1g |
¥29.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | M119779-25g |
7-Methoxy-1-tetralone |
6836-19-7 | 99% | 25g |
¥90.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | M119779-100g |
7-Methoxy-1-tetralone |
6836-19-7 | 99% | 100g |
¥335.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | M119779-5g |
7-Methoxy-1-tetralone |
6836-19-7 | 99% | 5g |
¥35.90 | 2023-09-02 | |
| AstaTech | 27072-5/G |
7-METHOXY-1-TETRALONE |
6836-19-7 | 97% | 5g |
$16 | 2023-09-18 |
7-Methoxy-1-tetralone Suppliers
7-Methoxy-1-tetralone Related Literature
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Yashveer Gautam,Sonam Dwivedi,Ankita Srivastava,Hamidullah,Arjun Singh,D. Chanda,Jyotsna Singh,Smita Rai,Rituraj Konwar,Arvind S. Negi RSC Adv. 2016 6 33369
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Huai-Wei Wang,Jia-Xue Wu,Da-Cheng Li,Yu-Han Qiao,Qing-Xia Yao,Wen-Can Sun,Jian-Min Dou Org. Biomol. Chem. 2022 20 686
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3. Basic intramolecular acylation. Synthesis of 2-aryl-1-tetralones bearing isopropoxy or benzyloxy groups, synthetic key intermediates for phenolic antileukaemic benzo[c]phenanthridine alkaloids, from 2,4-diarylbutyric acid derivativesHisashi Ishii,Ih-Sheng Chen,Satoshi Ueki,Takeshi Masuda,Kenji Morita,Tsutomu Ishikawa J. Chem. Soc. Perkin Trans. 1 1987 2415
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4. Azabenzocycloheptenones. Part 20. Synthesis and utilisation of 4-amino-1,2,3,4-tetrahydro-1(1H)-benzazepinesKevin I. Booker-Milburn,Ian R. Dunkin,Frances C. Kelly,Abedawn I. Khalaf,David A. Learmonth,George R. Proctor,David I. C. Scopes J. Chem. Soc. Perkin Trans. 1 1997 3261
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Xiao-Jun Li,Meng Li,Wei Yao,Hai-Yan Lu,YongSheng Zhao,Chuan-Feng Chen RSC Adv. 2015 5 18609
Additional information on 7-Methoxy-1-tetralone
Professional Introduction to 7-Methoxy-1-tetralone (CAS No. 6836-19-7)
7-Methoxy-1-tetralone, identified by the Chemical Abstracts Service Number (CAS No.) 6836-19-7, is a significant organic compound that has garnered considerable attention in the field of pharmaceutical chemistry and medicinal research. This heterocyclic ketone, characterized by its tetralone core structure substituted with a methoxy group at the 7-position, exhibits a unique set of chemical and biological properties that make it a valuable scaffold for drug discovery and development. The compound’s molecular formula, C??H?O, underscores its aromaticity and potential for diverse functionalization, which are critical factors in designing novel therapeutic agents.
The tetralone backbone of 7-Methoxy-1-tetralone is derived from tetralin, a naturally occurring hydrocarbon found in various plant resins and petroleum products. The methoxy substitution at the 7-position introduces polarity and electronic effects that modulate the compound’s reactivity and interaction with biological targets. This structural feature has been exploited in synthetic chemistry to develop derivatives with enhanced pharmacological activity. In recent years, 7-Methoxy-1-tetralone has been studied for its potential applications in addressing neurological disorders, inflammation, and even as a precursor in the synthesis of more complex molecules.
One of the most compelling aspects of 7-Methoxy-1-tetralone is its role as a key intermediate in the synthesis of biologically active compounds. Researchers have leveraged its structural framework to develop molecules with therapeutic potential in areas such as cancer chemoprevention and central nervous system (CNS) disorders. The methoxy group enhances the compound’s solubility and bioavailability, making it an attractive candidate for further medicinal chemistry optimization. Additionally, the tetralone core is known for its stability under various chemical conditions, which facilitates its use in multi-step synthetic pathways without significant degradation.
Recent advancements in computational chemistry have enabled more efficient virtual screening of 7-Methoxy-1-tetralone derivatives to identify promising candidates for experimental validation. Machine learning models have been trained on large datasets containing structural and activity information to predict the biological efficacy of novel analogs. These computational approaches have accelerated the drug discovery process by narrowing down the hit compounds that exhibit desired pharmacokinetic profiles. For instance, studies have shown that certain derivatives of 7-Methoxy-1-tetralone exhibit inhibitory effects on enzymes involved in inflammatory pathways, such as COX-2 and LOX.
The pharmacological profile of 7-Methoxy-1-tetralone has been explored through both in vitro and in vivo studies. Preclinical trials have demonstrated its potential as an anti-inflammatory agent by modulating cytokine production and reducing oxidative stress in cellular models. Moreover, its interaction with neurotransmitter receptors has been investigated for possible applications in treating neurodegenerative diseases like Alzheimer’s and Parkinson’s. The compound’s ability to cross the blood-brain barrier has made it an area of interest for developing CNS-targeted therapies.
Synthetic methodologies for producing high-purity 7-Methoxy-1-tetralone have been refined over time to ensure scalability and reproducibility. Traditional synthetic routes often involve Friedel-Crafts acylation followed by oxidation or demethylation steps to introduce the methoxy group at the desired position. However, modern techniques such as catalytic hydrogenation and asymmetric synthesis have provided alternative pathways to enhance yield and selectivity. These advancements have not only improved the accessibility of 7-Methoxy-1-tetralone but also opened new avenues for structural diversification through combinatorial chemistry approaches.
The safety profile of 7-Methoxy-1-tetralone is another critical consideration in its application within pharmaceutical research. While preliminary studies suggest low toxicity at moderate doses, further toxicological assessments are necessary to fully understand its long-term effects. Researchers are employing advanced analytical techniques such as mass spectrometry (MS) and nuclear magnetic resonance (NMR) spectroscopy to characterize metabolites formed after administration. These studies help elucidate potential side effects and guide dosing regimens for future clinical trials.
The versatility of 7-Methoxy-1-tetralone as a building block for drug development continues to inspire innovation in medicinal chemistry. By integrating this compound into libraries of diverse scaffolds, researchers can explore novel therapeutic strategies across multiple disease areas. Collaborative efforts between academia and industry are fostering interdisciplinary approaches to harness the full potential of 7-Methoxy-1-tetralone derivatives. As computational tools become more sophisticated, the design space for these molecules will expand, leading to more targeted and effective treatments.
In conclusion,7-Methoxy-1-tetralone (CAS No. 6836-19-7) represents a promising compound with significant implications for pharmaceutical research. Its unique structural features, combined with recent advancements in synthetic biology and computational drug design,position it as a valuable asset in developing next-generation therapeutics. Continued exploration into its biological activities will likely uncover new therapeutic applications, further solidifying its importance in modern medicinal chemistry.
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