Cas no 55528-90-0 ((4aR,7S,8aS)-4a,8a-dimethyl-7-(propan-2-yl)octahydronaphthalen-1(2H)-one)

(4aR,7S,8aS)-4a,8a-dimethyl-7-(propan-2-yl)octahydronaphthalen-1(2H)-one is a decalin-derived ketone with a stereochemically defined structure, featuring two methyl groups at the 4a and 8a positions and an isopropyl substituent at the 7-position. This compound exhibits high structural rigidity due to its fused ring system, making it a valuable intermediate in organic synthesis, particularly for stereoselective reactions. Its defined stereochemistry ensures consistent reactivity, which is advantageous in the preparation of complex molecules, including fragrances, pharmaceuticals, and fine chemicals. The compound’s stability and predictable behavior under various reaction conditions further enhance its utility in research and industrial applications.
(4aR,7S,8aS)-4a,8a-dimethyl-7-(propan-2-yl)octahydronaphthalen-1(2H)-one structure
55528-90-0 structure
Product Name:(4aR,7S,8aS)-4a,8a-dimethyl-7-(propan-2-yl)octahydronaphthalen-1(2H)-one
CAS No:55528-90-0
MF:C15H26O
MW:222.366344928741
CID:1597804
Update Time:2025-05-21

(4aR,7S,8aS)-4a,8a-dimethyl-7-(propan-2-yl)octahydronaphthalen-1(2H)-one Chemical and Physical Properties

Names and Identifiers

    • (4aR,7S,8aS)-4a,8a-dimethyl-7-(propan-2-yl)octahydronaphthalen-1(2H)-one
    • 1(2H)-Naphthalenone, octahydro-7.alpha.-isopropyl-4a.beta.,8a.beta.-dimethyl-, (+)-
    • Inchi: 1S/C15H26O/c1-11(2)12-7-9-14(3)8-5-6-13(16)15(14,4)10-12/h11-12H,5-10H2,1-4H3/t12-,14+,15+/m0/s1
    • InChI Key: HDVXJTYHXDVWQO-NWANDNLSSA-N
    • SMILES: O=C1CCC[C@]2(C)CC[C@H](C(C)C)C[C@@]21C

Computed Properties

  • Exact Mass: 222.19848

Experimental Properties

  • PSA: 17.07

(4aR,7S,8aS)-4a,8a-dimethyl-7-(propan-2-yl)octahydronaphthalen-1(2H)-one Pricemore >>

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Additional information on (4aR,7S,8aS)-4a,8a-dimethyl-7-(propan-2-yl)octahydronaphthalen-1(2H)-one

Compound CAS No 55528-90-0: (4aR,7S,8aS)-4a,8a-Dimethyl-7-(Propan-2-yl)Octahydronaphthalen-1(2H)-One

The compound with CAS No 55528-90-0, known as (4aR,7S,8aS)-4a,8a-dimethyl-7-(propan-2-yl)octahydronaphthalen-1(2H)-one, is a complex organic molecule with a unique structure and potential applications in various fields. This compound belongs to the class of bicyclic ketones and has garnered attention due to its structural properties and potential biological activities.

The octahydronaphthalen framework of this compound is a fused bicyclic system consisting of a naphthalene ring partially hydrogenated. The stereochemistry at the 4aR, 7S, and 8aS positions adds complexity to its structure, making it a chiral molecule with specific spatial arrangements. The presence of methyl and isopropyl groups at the 4a and 7 positions, respectively, contributes to its unique physicochemical properties.

Recent studies have explored the synthesis and characterization of this compound. Researchers have employed various synthetic strategies, including ring-closing metathesis and stereoselective reductions, to construct the octahydronaphthalen skeleton. These methods have enabled the preparation of enantiomerically pure samples, which are essential for studying its biological activity.

One of the most promising applications of CAS No 55528-90-0 lies in its potential as a chiral catalyst or ligand in asymmetric catalysis. Its rigid bicyclic structure and strategically placed substituents make it an ideal candidate for inducing high enantioselectivity in organic reactions. Recent research has demonstrated its effectiveness in catalyzing aldol reactions and other carbonyl additions with excellent yields and selectivities.

In addition to its catalytic applications, this compound has shown potential in drug discovery. Its ability to bind to specific protein targets has been investigated through molecular docking studies. These studies suggest that (4aR,7S,8aS)-4a,8a-dimethyl-7-(propan-2-yl)octahydronaphthalen-1(2H)-one could serve as a lead compound for developing novel therapeutics targeting various diseases.

The physical properties of this compound have also been extensively studied. Its melting point, boiling point, and solubility characteristics are critical for determining its suitability in different chemical processes. Recent thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC) studies have provided valuable insights into its thermal stability and phase transitions.

From an environmental perspective, the biodegradability and ecotoxicity of CAS No 55528-90-0 have been evaluated. These studies are crucial for assessing its potential impact on ecosystems if released into the environment. Results indicate that it exhibits moderate biodegradability under aerobic conditions but requires further investigation to fully understand its environmental fate.

In conclusion, (4aR,7S,8aS)-4a,8a-dimethyl-7-(propan-2-yl)octahydronaphthalen-1(2H)-one (CAS No 55528-90-) is a versatile compound with diverse applications in organic synthesis, catalysis, and drug discovery. Ongoing research continues to uncover new insights into its properties and potential uses, making it an exciting subject for both academic and industrial investigations.

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