Cas no 20698-30-0 (trans-4-tert-Pentylcyclohexanol)
trans-4-tert-Pentylcyclohexanol Chemical and Physical Properties
Names and Identifiers
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- trans-4-tert-Pentylcyclohexanol
- 4-t-pentylcyclohexanol
- trans-1-tert.-Pentyl-cyclohexanol-(4)
- trans-4-(1,1-dimethylpropyl)cyclohexanol
- TRANS-4-TERT-AMYCYCLOHEXANOL
- trans-4-tert-amylcyclohexano-1-ol
- trans-4-tert-Pentyl-cyclohexanol
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- Inchi: InChI=1S/C11H22O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h9-10,12H,4-8H2,1-3H3/t9-,10-
- InChI Key: VDQZABQVXYELSI-MGCOHNPYSA-N
- SMILES: CCC(C)(C)[C@H]1CC[C@@H](CC1)O
Computed Properties
- Exact Mass: 170.16700
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
Experimental Properties
- Color/Form: solid
- Melting Point: 24-27°C
- Boiling Point: 154-156°C 40mm
- Flash Point: 154-156°C/40mm
- PSA: 20.23000
- LogP: 2.97370
- Solubility: Not determined
trans-4-tert-Pentylcyclohexanol Security Information
- Hazard Category Code: 36/37/38
- Safety Instruction: 26-36/37/39
trans-4-tert-Pentylcyclohexanol Customs Data
- HS CODE:2906199090
- Customs Data:
China Customs Code:
2906199090Overview:
2906199090. Other naphthenic alcohols,Cycloenol and cycloterpenol. 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
Summary:
2906199090. cyclanic, cyclenic or cyclotherpenic alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%
trans-4-tert-Pentylcyclohexanol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHENG KE LU SI SHENG WU JI SHU | sc-272665-1g |
trans-4-tert-Pentylcyclohexanol, |
20698-30-0 | 1g |
¥707.00 | 2023-09-05 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-272665-1 g |
trans-4-tert-Pentylcyclohexanol, |
20698-30-0 | 1g |
¥707.00 | 2023-07-11 |
trans-4-tert-Pentylcyclohexanol Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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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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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
Additional information on trans-4-tert-Pentylcyclohexanol
Professional Introduction to trans-4-tert-Pentylcyclohexanol (CAS No. 20698-30-0)
trans-4-tert-Pentylcyclohexanol, with the chemical identifier CAS No. 20698-30-0, is a significant compound in the field of pharmaceutical chemistry and biochemistry. This compound belongs to the class of cyclohexanol derivatives, characterized by its unique structural and functional properties. The presence of a bulky tert-pentyl group at the trans-4 position introduces distinct steric and electronic effects, making it a valuable intermediate in synthetic chemistry and a potential candidate for various biological applications.
The synthesis of trans-4-tert-Pentylcyclohexanol typically involves the reduction of corresponding ketones or the hydrogenation of dienes, with careful control over reaction conditions to ensure high yield and enantiomeric purity. The stereochemistry at the cyclohexane ring is particularly crucial, as the trans configuration influences both the physical properties and the reactivity of the molecule. This compound exhibits moderate solubility in organic solvents, which is advantageous for its use in pharmaceutical formulations and chemical synthesis.
In recent years, research on cyclohexanol derivatives has gained considerable attention due to their potential applications in drug development. Specifically, compounds like trans-4-tert-Pentylcyclohexanol have been explored for their role as chiral auxiliaries and ligands in asymmetric synthesis. The tert-pentyl group provides steric hindrance that can direct reactions towards specific stereoisomers, which is critical for producing enantiomerically pure drugs with enhanced therapeutic efficacy.
Moreover, studies have highlighted the pharmacological significance of this compound. The structural motif of trans-4-tert-Pentylcyclohexanol shares similarities with certain bioactive molecules, suggesting its potential as a precursor or analog in medicinal chemistry. For instance, derivatives of this compound have been investigated for their anti-inflammatory and analgesic properties. The interaction between the bulky side chain and biological targets can modulate pharmacokinetic profiles, leading to improved drug delivery systems.
The latest advancements in computational chemistry have further elucidated the molecular interactions of trans-4-tert-Pentylcyclohexanol. Molecular dynamics simulations and quantum mechanical calculations have revealed insights into its binding affinity with enzymes and receptors. These computational studies are complemented by experimental validations, such as X-ray crystallography and NMR spectroscopy, which provide high-resolution structures of complexes formed with therapeutic agents.
In industrial applications, trans-4-tert-Pentylcyclohexanol serves as a key intermediate in the production of fine chemicals and specialty materials. Its stability under various reaction conditions makes it suitable for large-scale synthesis processes. Additionally, its role in polymer chemistry has been explored, where it acts as a monomer or modifier to enhance material properties such as flexibility and thermal resistance.
The environmental impact of synthesizing and utilizing trans-4-tert-Pentylcyclohexanol is another area of growing interest. Green chemistry principles have guided researchers to develop more sustainable synthetic routes, minimizing waste and reducing energy consumption. Catalytic processes employing recyclable catalysts have been particularly effective in improving efficiency while maintaining high selectivity.
Ethical considerations in pharmaceutical research also play a vital role when working with compounds like trans-4-tert-Pentylcyclohexanol. Ensuring that synthetic methods align with regulatory standards and environmental guidelines is essential for responsible innovation. Collaborative efforts between academia and industry are fostering advancements that balance scientific progress with societal well-being.
The future prospects for CAS No. 20698-30-0, specifically trans-4-tert-Pentylcyclohexanol, remain promising as new methodologies emerge in synthetic biology and drug discovery. Its versatility as a building block for complex molecules underscores its importance in advancing both fundamental research and applied sciences. Continued exploration into its applications will likely uncover novel therapeutic possibilities and industrial uses.
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