Acorone

Base Information

• Chemical Name: Acorone
• CAS No.: 10121-28-5
• Molecular Formula: C15H24 O2
• Molecular Weight: 236.354
• Hs Code.: 2914299000
• UNII: D9L24VH6YT
• Nikkaji Number: J16.647B
• Wikidata: Q67879591
• Mol file: 10121-28-5.mol

Synonyms:Acorone;D9L24VH6YT;10121-28-5;UNII-D9L24VH6YT;Isoacorone;4,8-Dimethyl-1-(1-methylethyl)spiro(4.5)decane-2,7-dione (1R-(1alpha,4beta,5alpha,8R*))-;Spiro(4.5)decane-2,7-dione, 4,8-dimethyl-1-(1-methylethyl)-, (1R-(1alpha,4beta,5alpha,8R*))-;(1S,4R,5S,8R)-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione;(1R,4S,5S,8R)-4,8-DIMETHYL-1-(1-METHYLETHYL)SPIRO(4.5)DECANE-2,7-DIONE;(1S,4R,5S,8R)-1,8-DIMETHYL-4-PROPAN-2-YLSPIRO(4.5)DECANE-3,9-DIONE;SPIRO(4.5)DECANE-2,7-DIONE, 4,8-DIMETHYL-1-(1-METHYLETHYL)-, (1R,4S,5S,8R)-;Acoron;SPIRO(4.5)DECANE-2,7-DIONE, 4,8-DIMETHYL-1-(1-METHYLETHYL)-, (1R-(1.ALPHA.,4.BETA.,5.BETA.(R*)))-;Spiro[4.5]decane-2,7-dione, 4,8-dimethyl-1-(1-methylethyl)-, [1R-[1.alpha.,4.beta.,5.beta.(R*)]]-;AGUISGUERLMHFF-PKIAMQTDSA-N;Q67879591;SPIRO(4.5)DECANE-2,7-DIONE, 4,8-DIMETHYL-1-(1-METHYLETHYL)-, (1R-(1alpha,4beta,5beta(R*)))-

Chemical Property of Acorone

Chemical Property:

• PSA: 34.14000
• LogP: 3.24300
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 236.177630004
• Heavy Atom Count: 17
• Complexity: 345

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2(CC1=O)C(CC(=O)C2C(C)C)C
• Isomeric SMILES: C[C@@H]1CC[C@]2(CC1=O)[C@H](CC(=O)[C@@H]2C(C)C)C

Technology Process of Acorone

There total 3 articles about Acorone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

acoronene (33983-45-8) → isoacorone (6168-64-5) + acorone (10121-28-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol;

Reference yield:

→ (+/-)-Acoron (639-72-5,5989-62-8,6168-64-5,10121-28-5,54713-00-7,54713-01-8,61475-94-3,61475-97-6)

Guidance literature:

Cyclopentanon 17, 1. BH3*SMe2, 2. NaOH/H2O2, 3. Jones-Reagens;

DOI:10.1021/jo00429a028

Reference yield:

→ Acoron (639-72-5,5989-62-8,6168-64-5,10121-28-5,54713-00-7,54713-01-8,61475-94-3,61475-97-6)

Guidance literature:

Keton 18, Diboran;

DOI:10.1021/jo00400a002

upstream raw materials:

acoronene

Downstream raw materials:

(1R,4S,8R)-1-isopropyl-4,8-dimethyl-spiro[4.5]decan; (+)-acorane

5-ethyl-2-methyl-cyclohexanone

(5S)-1c,8t'-dimethyl-4t-isopropyl-2-(benzylidene-(ξ))-(5rC⁶,5r'C¹)-spiro[4.5]decane-3,7-dione (mp: 186 degree )

iodoform