Cas no 898772-78-6 ((4-Cyclohexyl)butyl 5-(1,3-dioxolan-2-yl)-2-thienyl ketone)
(4-Cyclohexyl)butyl 5-(1,3-dioxolan-2-yl)-2-thienyl ketone Chemical and Physical Properties
Names and Identifiers
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- 5-cyclohexyl-1-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]pentan-1-one
- (4-Cyclohexyl)butyl 5-(1,3-dioxolan-2-yl)-2-thienyl ketone
- MS-21550
- AKOS016018654
- MFCD07699104
- (4-CYCLOHEXYL)BUTYL5-(1,3-DIOXOLAN-2-YL)-2-THIENYLKETONE
- 898772-78-6
- DTXSID90641906
-
- MDL: MFCD07699104
- Inchi: 1S/C18H26O3S/c19-15(9-5-4-8-14-6-2-1-3-7-14)16-10-11-17(22-16)18-20-12-13-21-18/h10-11,14,18H,1-9,12-13H2
- InChI Key: PQDBYMKQNHOEGZ-UHFFFAOYSA-N
- SMILES: S1C(=CC=C1C(CCCCC1CCCCC1)=O)C1OCCO1
Computed Properties
- Exact Mass: 322.16000
- Monoisotopic Mass: 322.16026586g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 7
- Complexity: 348
- 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: 5.2
- Topological Polar Surface Area: 63.8?2
Experimental Properties
- PSA: 63.77000
- LogP: 5.11690
(4-Cyclohexyl)butyl 5-(1,3-dioxolan-2-yl)-2-thienyl ketone Customs Data
- HS CODE:2934999090
- Customs Data:
China Customs Code:
2934999090Overview:
2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
(4-Cyclohexyl)butyl 5-(1,3-dioxolan-2-yl)-2-thienyl ketone Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | C090285-250mg |
(4-Cyclohexyl)butyl 5-(1,3-dioxolan-2-yl)-2-thienyl ketone |
898772-78-6 | 250mg |
$ 440.00 | 2022-06-06 | ||
| TRC | C090285-500mg |
(4-Cyclohexyl)butyl 5-(1,3-dioxolan-2-yl)-2-thienyl ketone |
898772-78-6 | 500mg |
$ 735.00 | 2022-06-06 | ||
| Chemenu | CM298360-1g |
(4-Cyclohexyl)butyl 5-(1,3-dioxolan-2-yl)-2-thienyl ketone |
898772-78-6 | 95% | 1g |
$512 | 2023-02-16 | |
| abcr | AB362530-1 g |
(4-Cyclohexyl)butyl 5-(1,3-dioxolan-2-yl)-2-thienyl ketone, 97%; . |
898772-78-6 | 97% | 1 g |
€954.60 | 2023-07-19 | |
| abcr | AB362530-2 g |
(4-Cyclohexyl)butyl 5-(1,3-dioxolan-2-yl)-2-thienyl ketone, 97%; . |
898772-78-6 | 97% | 2 g |
€1,400.00 | 2023-07-19 | |
| Fluorochem | 202404-1g |
4-Cyclohexyl)butyl 5-(1,3-dioxolan-2-yl)-2-thienyl ketone |
898772-78-6 | 97% | 1g |
£554.00 | 2022-02-28 | |
| Fluorochem | 202404-2g |
4-Cyclohexyl)butyl 5-(1,3-dioxolan-2-yl)-2-thienyl ketone |
898772-78-6 | 97% | 2g |
£837.00 | 2022-02-28 | |
| Fluorochem | 202404-5g |
4-Cyclohexyl)butyl 5-(1,3-dioxolan-2-yl)-2-thienyl ketone |
898772-78-6 | 97% | 5g |
£1702.00 | 2022-02-28 | |
| Key Organics Ltd | MS-21550-1G |
(4-Cyclohexyl)butyl 5-(1,3-dioxolan-2-yl)-2-thienyl ketone |
898772-78-6 | >95% | 1g |
£629.00 | 2025-02-08 | |
| Key Organics Ltd | MS-21550-5G |
(4-Cyclohexyl)butyl 5-(1,3-dioxolan-2-yl)-2-thienyl ketone |
898772-78-6 | >95% | 5g |
£1715.00 | 2025-02-08 |
(4-Cyclohexyl)butyl 5-(1,3-dioxolan-2-yl)-2-thienyl ketone Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
Additional information on (4-Cyclohexyl)butyl 5-(1,3-dioxolan-2-yl)-2-thienyl ketone
Comprehensive Overview of (4-Cyclohexyl)butyl 5-(1,3-dioxolan-2-yl)-2-thienyl ketone (CAS No. 898772-78-6)
The compound (4-Cyclohexyl)butyl 5-(1,3-dioxolan-2-yl)-2-thienyl ketone (CAS No. 898772-78-6) is a specialized organic molecule with a unique structural framework, combining a cyclohexyl moiety, a butyl chain, and a thienyl ketone group protected by a 1,3-dioxolane ring. This intricate architecture makes it a valuable intermediate in pharmaceutical and material science research. Its CAS number 898772-78-6 serves as a critical identifier for researchers and regulatory bodies, ensuring precise tracking in chemical databases.
In recent years, the demand for heterocyclic ketones like this compound has surged due to their applications in drug discovery and functional materials. The thienyl ketone segment, in particular, is pivotal for designing bioactive molecules, while the 1,3-dioxolane group offers stability under synthetic conditions. Users frequently search for terms such as "synthesis of thienyl ketones" or "applications of cyclohexyl derivatives," reflecting growing interest in its utility. This aligns with trends in green chemistry, where researchers seek efficient routes to synthesize such compounds with minimal environmental impact.
The (4-Cyclohexyl)butyl side chain enhances the molecule's lipophilicity, a property often explored in medicinal chemistry to improve drug bioavailability. Discussions on platforms like ResearchGate and PubMed highlight queries about "ketone protection strategies" and "cyclohexyl-based scaffolds," underscoring its relevance. Additionally, the compound’s potential in OLED materials and catalysis is a hot topic, as industries seek sustainable alternatives for electronic devices.
From a synthetic chemistry perspective, the CAS 898772-78-6 compound exemplifies modular design, allowing derivatization at multiple sites. Lab protocols often emphasize its handling under anhydrous conditions due to the dioxolane group's sensitivity. Analytical techniques like NMR and HPLC are crucial for characterizing its purity, a common concern among purchasers searching for "high-purity thienyl ketone suppliers."
In summary, (4-Cyclohexyl)butyl 5-(1,3-dioxolan-2-yl)-2-thienyl ketone bridges gaps between academia and industry, addressing needs in drug development and advanced materials. Its CAS No. 898772-78-6 ensures traceability, while its structural versatility keeps it at the forefront of organic synthesis innovations. As searches for "custom ketone synthesis" and "cyclohexyl derivatives in pharmaceuticals" rise, this compound’s significance continues to grow.
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