Cas no 6072-57-7 (3-Methyl-2,3-dihydro-1H-inden-1-one)
3-Methyl-2,3-dihydro-1H-inden-1-one Chemical and Physical Properties
Names and Identifiers
-
- 3-Methyl-2,3-dihydro-1H-inden-1-one
- 3-Methyl-1-indanone
- 2-methyl-1-indanone
- 3-methyl-2,3-dihydroinden-1-one
- 3-Methyl-indan-1-one
- 3-Methylindan-1-one
- AKOS016038081
- 3-Methyl-1-indanone, 99%
- 3-Methylindanone
- AKOS000249461
- F8884-2040
- 2,3-Dihydro-3-methyl-1H-inden-1-one
- XJW7YA5CLT
- FT-0659583
- 1-Indanone, 3-methyl-
- AM1094
- NSC89554
- 1H-Inden-1-one, 2,3-dihydro-3-methyl-
- SCHEMBL20368206
- 3-METHYLINDANONE, (+/-)-
- AC-23412
- 6072-57-7
- MFCD00156725
- SCHEMBL181579
- EN300-66017
- 1H-Inden-1-one,3-dihydro-3-methyl-
- NSC 89554
- AS-5626
- 3-methyl-2,3-dihydro-inden-1-one
- NSC-89554
- Z335243948
- UNII-XJW7YA5CLT
- H10914
- DB-001259
- SY109868
-
- MDL: MFCD00156725
- Inchi: 1S/C10H10O/c1-7-6-10(11)9-5-3-2-4-8(7)9/h2-5,7H,6H2,1H3
- InChI Key: XVTQSYKCADSUHN-UHFFFAOYSA-N
- SMILES: O=C1C2C=CC=CC=2C(C)C1
Computed Properties
- Exact Mass: 146.07300
- Monoisotopic Mass: 146.073
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 174
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: 2
- Topological Polar Surface Area: 17.1A^2
Experimental Properties
- Color/Form: Beige crystal
- Density: 1.075?g/mL?at 25?°C(lit.)
- Boiling Point: 70-72?°C/0.7?mmHg(lit.)
- Flash Point: Degrees Fahrenheit:>235.4°F
Degrees Celsius:>113°C - Refractive Index: n20/D 1.558(lit.)
- PSA: 17.07000
- LogP: 2.37650
- Solubility: Not determined
3-Methyl-2,3-dihydro-1H-inden-1-one Security Information
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: R22;R36/37/38
- Safety Instruction: S22-S26-S36/37/39
-
Hazardous Material Identification:
- HazardClass:IRRITANT
- Risk Phrases:R22; R36/37/38
- Safety Term:S26;S36/37/39;S22
3-Methyl-2,3-dihydro-1H-inden-1-one Customs Data
- HS CODE:2914399090
- Customs Data:
China Customs Code:
2914399090Overview:
2914399090. Other aromatic ketones without other oxygen-containing groups. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acetone declared packaging
Summary:
2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%
3-Methyl-2,3-dihydro-1H-inden-1-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | M123327-5g |
3-Methyl-2,3-dihydro-1H-inden-1-one |
6072-57-7 | 98% | 5g |
¥2299.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | M123327-1g |
3-Methyl-2,3-dihydro-1H-inden-1-one |
6072-57-7 | 98% | 1g |
¥699.90 | 2023-09-02 | |
| Chemenu | CM290287-10g |
3-Methyl-2,3-dihydro-1H-inden-1-one |
6072-57-7 | 95% | 10g |
$333 | 2021-06-16 | |
| Alichem | A079000873-5g |
3-Methyl-2,3-dihydro-1H-inden-1-one |
6072-57-7 | 95% | 5g |
$185.76 | 2023-09-01 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R024227-1g |
3-Methyl-2,3-dihydro-1H-inden-1-one |
6072-57-7 | 99% | 1g |
¥840 | 2024-05-22 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R024227-5g |
3-Methyl-2,3-dihydro-1H-inden-1-one |
6072-57-7 | 99% | 5g |
¥2760 | 2024-05-22 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 391271-1G |
3-Methyl-2,3-dihydro-1H-inden-1-one |
6072-57-7 | 99% | 1G |
¥629.35 | 2022-02-24 | |
| TRC | M303545-50mg |
3-Methyl-2,3-dihydro-1H-inden-1-one |
6072-57-7 | 50mg |
$ 50.00 | 2022-06-04 | ||
| TRC | M303545-100mg |
3-Methyl-2,3-dihydro-1H-inden-1-one |
6072-57-7 | 100mg |
$ 65.00 | 2022-06-04 | ||
| TRC | M303545-500mg |
3-Methyl-2,3-dihydro-1H-inden-1-one |
6072-57-7 | 500mg |
$ 115.00 | 2022-06-04 |
3-Methyl-2,3-dihydro-1H-inden-1-one Suppliers
3-Methyl-2,3-dihydro-1H-inden-1-one Related Literature
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Tanmoy Chanda,Maya Shankar Singh Org. Biomol. Chem. 2016 14 8895
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2. Stabilised enamine anions. Generation and alkylation of anions stabilised as cyclopentadienide enamine systemsHugh W. Thompson,Bruno S. Huegi J. Chem. Soc. Perkin Trans. 1 1976 1603
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Guangrong Tang,Guo-Xin Jin Dalton Trans. 2007 3840
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4. 541. The synthesis of some new phenolsR. E. Dean,A. Midgley,E. N. White,D. McNeil J. Chem. Soc. 1961 2773
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5. 489. Reactions in fused aluminium chloride–sodium chlorideD. B. Bruce,A. J. S. Sorrie,R. H. Thomson J. Chem. Soc. 1953 2403
Additional information on 3-Methyl-2,3-dihydro-1H-inden-1-one
Chemical Profile of 3-Methyl-2,3-dihydro-1H-inden-1-one (CAS No: 6072-57-7)
3-Methyl-2,3-dihydro-1H-inden-1-one, identified by its Chemical Abstracts Service (CAS) number 6072-57-7, is a heterocyclic organic compound that has garnered significant attention in the field of medicinal chemistry and drug discovery. This compound belongs to the class of indanone derivatives, characterized by a fused benzene and cyclopentane ring system with a ketone functional group. The presence of a methyl substituent at the 3-position introduces unique electronic and steric properties, making it a versatile scaffold for synthetic modifications and biological evaluations.
The structural framework of 3-Methyl-2,3-dihydro-1H-inden-1-one facilitates its incorporation into complex molecular architectures, enabling the exploration of diverse pharmacophoric motifs. In recent years, indanone derivatives have been extensively studied for their potential applications in treating various therapeutic conditions, including inflammation, neurodegenerative disorders, and cancer. The compound’s ability to modulate biological pathways through interactions with specific targets has positioned it as a promising candidate for further investigation.
Recent advancements in computational chemistry and molecular modeling have enhanced our understanding of the interactions between 3-Methyl-2,3-dihydro-1H-inden-1-one and biological targets. Studies suggest that the compound’s aromatic system and the electron-withdrawing nature of the ketone group contribute to its binding affinity for certain enzymes and receptors. This has prompted researchers to explore its potential as a lead compound for the development of novel therapeutic agents.
In the realm of synthetic chemistry, 3-Methyl-2,3-dihydro-1H-inden-1-one serves as a valuable intermediate in the preparation of more complex molecules. Its reactivity allows for functionalization at multiple positions, enabling the creation of libraries of derivatives with tailored biological activities. Techniques such as palladium-catalyzed cross-coupling reactions and intramolecular cyclizations have been employed to diversify the structural landscape derived from this core scaffold.
Biological investigations into 3-Methyl-2,3-dihydro-1H-inden-1-one have revealed intriguing properties that warrant further exploration. Preliminary studies indicate that the compound exhibits moderate activity against certain cancer cell lines, suggesting its potential as an anticancer agent. Additionally, its interaction with inflammatory pathways has been observed, hinting at its possible role in modulating immune responses. These findings underscore the importance of continued research to elucidate its full therapeutic spectrum.
The synthesis of 3-Methyl-2,3-dihydro-1H-inden-1-one can be achieved through several routes, each offering distinct advantages in terms of yield, purity, and scalability. One common approach involves the condensation of acetophenone derivatives with cyclopentanone under acidic conditions. Alternative methods employ transition metal catalysis to facilitate ring closure and functionalization steps. The choice of synthetic pathway often depends on the specific requirements of downstream applications, such as pharmaceutical development or material science.
The chemical stability of 3-Methyl-2,3-dihydro-1H-inden-1-one under various conditions is another critical aspect that influences its utility in research and industrial settings. Factors such as temperature, solvent compatibility, and storage conditions must be carefully considered to maintain its integrity. Advances in chemical preservation techniques have improved the shelf life and reliability of this compound for experimental use.
As research progresses, 3-Methyl-2,3-dihydro-1H-inden-1-one continues to emerge as a key molecule in medicinal chemistry. Its unique structural features and biological potential make it an attractive scaffold for innovation in drug design. Collaborative efforts between synthetic chemists and biologists are essential to fully harness its therapeutic promise and translate laboratory findings into tangible benefits for patients.
The future direction of studies on 3-Methyl-2,3-dihydro-1H-inden-1-one may include exploring its role in precision medicine applications. By leveraging high-throughput screening technologies and structure-based drug design principles, researchers can identify optimized derivatives with enhanced efficacy and reduced side effects. Such endeavors align with global trends toward personalized healthcare solutions.
In conclusion, 3-Methyl - 2 , 3 - dihydro - 1 H - inden - 1 - one (CAS No: 6072 - 57 - 7) represents a significant compound in modern chemical research with multifaceted applications spanning synthetic chemistry , medicinal chemistry , and drug discovery . Its structural versatility , coupled with promising biological activities , positions it as a cornerstone molecule worthy of continued investigation . As scientific methodologies evolve , so too will our understanding and utilization of this remarkable heterocyclic compound .
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