Cas no 29927-85-3 (octahydro-1H-inden-1-one)
octahydro-1H-inden-1-one Chemical and Physical Properties
Names and Identifiers
-
- 1H-Inden-1-one,octahydro-
- (+/-)-cis-hexahydro-indanone-(1)
- 1-Hydrindanone
- 1-Indanone, hexahydro-
- Bicyclo[4.3.0]nonan-7-one
- octahydro-1H-inden-1-one
- 2826-65-5
- 16783-22-5
- AKOS023808731
- ATKSQUYIHKMKTG-UHFFFAOYSA-N
- EN300-1663473
- starbld0045753
- BICYCLO(4.3.0)NONAN-7-ONE
- 2,3,3a,4,5,6,7,7a-octahydro-inden-1-one
- perhydroindanone
- 29927-85-3
- SCHEMBL6903135
- DTXSID50937397
- Octahydro-1H-inden-1-one #
- 1H-Inden-1-one, octahydro-
- 1H-Inden-1-one, octahydro-, cis-
-
- Inchi: 1S/C9H14O/c10-9-6-5-7-3-1-2-4-8(7)9/h7-8H,1-6H2
- InChI Key: ATKSQUYIHKMKTG-UHFFFAOYSA-N
- SMILES: O=C1CCC2CCCCC21
Computed Properties
- Exact Mass: 138.10452
- Monoisotopic Mass: 138.104
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 151
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 1.007
- Boiling Point: 219.8°Cat760mmHg
- Flash Point: 79.6°C
- Refractive Index: 1.49
- PSA: 17.07
- LogP: 2.15570
octahydro-1H-inden-1-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1663473-0.05g |
octahydro-1H-inden-1-one |
29927-85-3 | 95% | 0.05g |
$315.0 | 2023-06-04 | |
| Enamine | EN300-1663473-0.1g |
octahydro-1H-inden-1-one |
29927-85-3 | 95% | 0.1g |
$470.0 | 2023-06-04 | |
| Enamine | EN300-1663473-0.25g |
octahydro-1H-inden-1-one |
29927-85-3 | 95% | 0.25g |
$672.0 | 2023-06-04 | |
| Enamine | EN300-1663473-0.5g |
octahydro-1H-inden-1-one |
29927-85-3 | 95% | 0.5g |
$1058.0 | 2023-06-04 | |
| Enamine | EN300-1663473-1.0g |
octahydro-1H-inden-1-one |
29927-85-3 | 95% | 1g |
$1357.0 | 2023-06-04 | |
| Enamine | EN300-1663473-2.5g |
octahydro-1H-inden-1-one |
29927-85-3 | 95% | 2.5g |
$2660.0 | 2023-06-04 | |
| Enamine | EN300-1663473-5.0g |
octahydro-1H-inden-1-one |
29927-85-3 | 95% | 5g |
$3935.0 | 2023-06-04 | |
| Enamine | EN300-1663473-10.0g |
octahydro-1H-inden-1-one |
29927-85-3 | 95% | 10g |
$5837.0 | 2023-06-04 | |
| Enamine | EN300-1663473-50mg |
octahydro-1H-inden-1-one |
29927-85-3 | 95.0% | 50mg |
$315.0 | 2023-09-21 | |
| Enamine | EN300-1663473-100mg |
octahydro-1H-inden-1-one |
29927-85-3 | 95.0% | 100mg |
$470.0 | 2023-09-21 |
octahydro-1H-inden-1-one Related Literature
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
Additional information on octahydro-1H-inden-1-one
Recent Advances in the Study of Octahydro-1H-inden-1-one (CAS: 29927-85-3) in Chemical Biology and Pharmaceutical Research
Octahydro-1H-inden-1-one (CAS: 29927-85-3) is a bicyclic ketone that has garnered significant attention in recent years due to its versatile applications in chemical biology and pharmaceutical research. This compound serves as a key intermediate in the synthesis of various bioactive molecules, including fragrances, pharmaceuticals, and agrochemicals. Recent studies have explored its potential as a building block for novel drug candidates, particularly in the development of central nervous system (CNS) therapeutics and anti-inflammatory agents. The unique structural features of octahydro-1H-inden-1-one, such as its rigid bicyclic framework and functionalizable carbonyl group, make it an attractive scaffold for medicinal chemistry applications.
One of the most notable advancements in the study of octahydro-1H-inden-1-one is its role in the synthesis of gamma-secretase modulators (GSMs) for Alzheimer's disease treatment. A 2023 study published in the Journal of Medicinal Chemistry demonstrated that derivatives of octahydro-1H-inden-1-one exhibit potent activity in modulating gamma-secretase, an enzyme implicated in the production of amyloid-beta peptides. The researchers utilized a structure-activity relationship (SAR) approach to optimize the compound's pharmacokinetic properties, resulting in improved blood-brain barrier penetration and reduced off-target effects. These findings highlight the potential of octahydro-1H-inden-1-one-based compounds as next-generation therapeutics for neurodegenerative disorders.
In addition to its pharmaceutical applications, octahydro-1H-inden-1-one has been investigated for its use in asymmetric synthesis and chiral auxiliaries. A recent publication in Organic Letters (2024) described an efficient enantioselective synthesis of octahydro-1H-inden-1-one derivatives using organocatalysis. The study achieved high enantiomeric excess (ee > 99%) and excellent yields, paving the way for the production of enantiopure compounds for drug development. This methodological advancement addresses one of the key challenges in working with octahydro-1H-inden-1-one – the control of stereochemistry at multiple chiral centers.
The compound's potential in fragrance chemistry has also been explored in recent research. A 2023 study in Flavour and Fragrance Journal reported that octahydro-1H-inden-1-one derivatives exhibit unique olfactory properties, with some analogs displaying woody, amber-like notes. These findings have sparked interest in the cosmetic industry for developing novel fragrance ingredients with improved stability and sensory characteristics. The study also investigated the structure-odor relationships of these derivatives, providing valuable insights for molecular design in perfumery applications.
From a safety and toxicological perspective, recent investigations have focused on the environmental fate and biodegradation of octahydro-1H-inden-1-one. A 2024 Environmental Science and Technology publication examined the compound's persistence in aquatic systems and its potential ecological impacts. The study found that while octahydro-1H-inden-1-one demonstrates moderate persistence, it undergoes relatively rapid biodegradation under aerobic conditions. These findings are particularly relevant for assessing the environmental profile of pharmaceuticals and other products derived from this compound.
Looking forward, the versatility of octahydro-1H-inden-1-one continues to inspire innovative research across multiple disciplines. Current efforts are focused on developing more sustainable synthetic routes, exploring new biological targets, and optimizing the compound's physicochemical properties for specific applications. The growing body of research on this molecule underscores its importance as a valuable tool in chemical biology and a promising scaffold for drug discovery.
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