Cas no 107898-54-4 (4-Penten-2-ol,3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-)
4-Penten-2-ol,3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Penten-2-ol,3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
- 3,3-DIMETHYL-5-(2,2,3-TRIMETHYL-3-CYCLOPENTEN-1-YL)-4-PENTEN-2-OL
- 3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol
- 4-Penten-2-ol,3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)
- polysanto
- Megasantol
- 4-Penten-2-ol-3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)
- (+/-) trans-3,3-dimethyl-5-(2,2,3-trimethyl-cyclopent-3-en-1-yl)-pent-4-en-2-ol
- DTXSID401021085
- (+/-) trans-3,3-dimethyl-5-(2,2,3-trimethyl-cyclopent-3-en-1-yl)pent-4-en-2-ol
- EC 411-580-3
- 107898-54-4
- 4-Penten-2-ol, 3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
- NS00077606
- 4-Penten-2-ol, 3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-, (4E)-
- AKOS015900947
- SCHEMBL238074
- 244626-73-1
- (E)-3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol
- 3,3-Dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl
-
- Inchi: 1S/C15H26O/c1-11-7-8-13(15(11,5)6)9-10-14(3,4)12(2)16/h7,9-10,12-13,16H,8H2,1-6H3/b10-9+
- InChI Key: QZFSNJAQFWEXEA-MDZDMXLPSA-N
- SMILES: OC(C)C(C)(C)/C=C/C1CC=C(C)C1(C)C
Computed Properties
- Exact Mass: 222.19800
- Monoisotopic Mass: 222.198
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 307
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Topological Polar Surface Area: 20.2A^2
- XLogP3: 3.8
Experimental Properties
- Density: 0.933
- Boiling Point: 300 oC
- Flash Point: 105 oC
- Refractive Index: 1.519
- PSA: 20.23000
- LogP: 3.94200
4-Penten-2-ol,3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)- Security Information
- Hazard Category Code: 38-50/53
- Safety Instruction: S24/25; S37; S60; S61
-
Hazardous Material Identification:
- Safety Term:24/25-37-60-61
- Risk Phrases:R38
4-Penten-2-ol,3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| 1PlusChem | 1P0084OQ-5g |
3,3-DIMETHYL-5-(2,2,3-TRIMETHYL-3-CYCLOPENTEN-1-YL)-4-PENTEN-2-OL |
107898-54-4 | ≥95% | 5g |
$36.00 | 2023-12-26 | |
| 1PlusChem | 1P0084OQ-25g |
3,3-DIMETHYL-5-(2,2,3-TRIMETHYL-3-CYCLOPENTEN-1-YL)-4-PENTEN-2-OL |
107898-54-4 | ≥95% | 25g |
$72.00 | 2023-12-26 | |
| 1PlusChem | 1P0084OQ-100g |
3,3-DIMETHYL-5-(2,2,3-TRIMETHYL-3-CYCLOPENTEN-1-YL)-4-PENTEN-2-OL |
107898-54-4 | ≥95% | 100g |
$134.00 | 2023-12-26 | |
| A2B Chem LLC | AD78522-5g |
3,3-DIMETHYL-5-(2,2,3-TRIMETHYL-3-CYCLOPENTEN-1-YL)-4-PENTEN-2-OL |
107898-54-4 | ≥95% | 5g |
$28.00 | 2024-01-05 | |
| A2B Chem LLC | AD78522-25g |
3,3-DIMETHYL-5-(2,2,3-TRIMETHYL-3-CYCLOPENTEN-1-YL)-4-PENTEN-2-OL |
107898-54-4 | ≥95% | 25g |
$71.00 | 2024-01-05 | |
| A2B Chem LLC | AD78522-100g |
3,3-DIMETHYL-5-(2,2,3-TRIMETHYL-3-CYCLOPENTEN-1-YL)-4-PENTEN-2-OL |
107898-54-4 | ≥95% | 100g |
$143.00 | 2024-01-05 | |
| Aaron | AR0084X2-5g |
3,3-DIMETHYL-5-(2,2,3-TRIMETHYL-3-CYCLOPENTEN-1-YL)-4-PENTEN-2-OL |
107898-54-4 | 5g |
$32.00 | 2023-12-16 | ||
| Aaron | AR0084X2-25g |
3,3-DIMETHYL-5-(2,2,3-TRIMETHYL-3-CYCLOPENTEN-1-YL)-4-PENTEN-2-OL |
107898-54-4 | 25g |
$94.00 | 2023-12-16 | ||
| Aaron | AR0084X2-100g |
3,3-DIMETHYL-5-(2,2,3-TRIMETHYL-3-CYCLOPENTEN-1-YL)-4-PENTEN-2-OL |
107898-54-4 | 100g |
$198.00 | 2023-12-16 |
4-Penten-2-ol,3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)- Related Literature
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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5. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
Additional information on 4-Penten-2-ol,3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
Chemical Profile of 4-Penten-2-ol,3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl) (CAS No. 107898-54-4)
The compound 4-Penten-2-ol,3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl), identified by its CAS number 107898-54-4, represents a structurally complex and intriguing molecule with significant potential in the realm of organic synthesis and pharmaceutical applications. This terpene derivative features a fused cyclopentane ring system appended with an acyclic pentenol moiety, making it a candidate for further exploration in synthetic chemistry and as a building block for more elaborate structures.
Structurally speaking, the presence of multiple stereocenters in this molecule—particularly the tertiary alcohol at the 2-position and the chiral centers within the cyclopentane ring—provides a rich ground for stereochemical manipulation. Such features are highly valued in medicinal chemistry, where precise stereochemistry often dictates biological activity. The compound’s architecture also suggests potential applications in fragrance chemistry due to its aliphatic and cyclic hydrocarbon framework, which is commonly found in naturally occurring terpenes.
In recent years, there has been growing interest in leveraging naturally inspired scaffolds for drug discovery. The structural motif of 4-Penten-2-ol,3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl) aligns well with this trend. Researchers have been exploring derivatives of terpenes for their diverse biological activities, ranging from anti-inflammatory to antimicrobial properties. The compound’s ability to serve as a precursor for more complex molecules makes it particularly attractive for synthetic chemists aiming to develop novel pharmacophores.
The synthesis of this compound presents both challenges and opportunities. The introduction of multiple stereocenters while maintaining high enantioselectivity is no small feat. However, advances in asymmetric synthesis have made such transformations more accessible than ever before. For instance, catalytic hydrogenation and asymmetric epoxidation strategies have been employed to construct the desired stereocenters with high fidelity. These methodologies not only enhance the efficiency of synthesis but also improve scalability—a critical factor for industrial applications.
Beyond its synthetic utility, 4-Penten-2-ol,3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl) has garnered attention for its potential biological activity. Preliminary studies have suggested that derivatives of this scaffold may exhibit properties relevant to neurological disorders and metabolic diseases. The cyclopentane ring is particularly interesting because it mimics natural products found in plants and microorganisms known for their therapeutic effects. By modifying functional groups or introducing additional substituents at strategic positions within this framework, researchers can fine-tune the biological profile of the compound.
The role of computational chemistry in studying such molecules cannot be overstated. Molecular modeling techniques have enabled researchers to predict binding interactions between 4-Penten-2-ol,3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopentanenyl) and biological targets with remarkable accuracy. These predictions guide experimental design by highlighting key interactions that could enhance potency or selectivity. Additionally, virtual screening has become an indispensable tool for identifying lead compounds from large libraries of synthetic candidates.
In conclusion,4-Penten - 2 - ol, 33 - dimethyl - 55 - (22 , 23 - trimethyl - 33 - cyclopentan - 11 - yl) (CAS No . 107898 - 54 - 44 ) stands out as a promising candidate for further investigation in both synthetic chemistry and drug discovery . Its complex architecture , coupled with its potential biological relevance , makes it an exciting molecule to explore . As research continues to uncover new methodologies for constructing complex molecules , compounds like this one will undoubtedly play a pivotal role in advancing our understanding of organic chemistry and its applications in medicine .
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