Corymbolone

Base Information

• Chemical Name: Corymbolone
• CAS No.: 97094-19-4
• Molecular Formula: C₁₅H₂₄O₂
• Molecular Weight: 236.354
• DSSTox Substance ID: DTXSID40242700
• Nikkaji Number: J142.179D
• Wikidata: Q27134139
• Mol file: 97094-19-4.mol

Synonyms:Corymbolone;97094-19-4;SCHEMBL21093618;CHEBI:65659;DTXSID40242700;Q27134139;(4S)-Octahydro-4Ass-Hydroxy-4?,8Aa-Dimethyl-6?-(1-Methylethenyl)-1(2H)-Naphthalenone;(4S,4aR,6R,8aR)-4a-hydroxy-4,8a-dimethyl-6-(prop-1-en-2-yl)octahydronaphthalen-1(2H)-one

Chemical Property of Corymbolone

Chemical Property:

• Vapor Pressure: 7.55E-06mmHg at 25°C
• Melting Point: 135-136 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
• Boiling Point: 336.8°C at 760 mmHg
• PKA: 14.33±0.70(Predicted)
• Flash Point: 143.2°C
• PSA: 37.30000
• Density: 1.041g/cm³
• LogP: 3.09900
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 236.177630004
• Heavy Atom Count: 17
• Complexity: 360

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC(=O)C2(C1(CC(CC2)C(=C)C)O)C
• Isomeric SMILES: C[C@H]1CCC(=O)[C@]2([C@]1(C[C@@H](CC2)C(=C)C)O)C

Technology Process of Corymbolone

There total 13 articles about Corymbolone 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: 76.0%

octahydro-4β,8aβ-dimethyl-6β-(1-methylethenyl)-1β,4aα-(2H)-naphthalenediol → octahydro-4aα-hydroxy-4β,8aβ-dimethyl-6β-(1-methylethenyl)-1(2H)-naphthalenone (97094-19-4)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 20 ℃; for 3h;

DOI:10.1016/j.tet.2006.07.026

Reference yield: 3.0%

(1S,4S,7R)-7-Isopropenyl-1,4-dimethyl-1,2,3,4,5,6,7,8-octahydro-azulene (3691-12-1,53863-54-0) → 1α,5-Epoxy-(4αH,7αH,10αH)-guajen-(12) (10410-05-6) + 1β,5-Epoxy-(4αH,7αH,10αH)-guajen-(12) (10224-59-6) + (1R,3S,5R,8S)-3,8-dimethyl-5-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydroazulen-1-ol (1353713-25-3) + (1S,3S,5R,8S)-3,8-dimethyl-5-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydroazulen-1-ol (1353713-26-4) + (1S,3S,5R,8S)-3,8-dimethyl-5-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydroazulen-1-yl hydroperoxide + (1S,4S,7R)-1,4-dimethyl-7-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydroazulen-1-yl hydroperoxide + (3S,5R,8S)-3,8-dimethyl-5-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2H-azulen-1-one (18374-76-0) + (4S,4aR,6R,8aR)-4a-hydroxy-4,8a-dimethyl-6-(prop-1-en-2-yl)octahydronaphthalen-1(2H)-one (97094-19-4)

Guidance literature:

at 50 ℃; for 16h;

DOI:10.1021/np500819f

Reference yield:

(1S,4S,7R)-7-Isopropenyl-1,4-dimethyl-1,2,3,4,5,6,7,8-octahydro-azulene (3691-12-1,53863-54-0) → (1R,3S,5R,8S)-3,8-dimethyl-5-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydroazulen-1-ol (1353713-25-3) + (1S,3S,5R,8S)-3,8-dimethyl-5-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydroazulen-1-ol (1353713-26-4) + (3R,5R,8S)-3-hydroxy-3,8-dimethyl-5-(prop-1-en-2-yl)-3,4,5,6,7,8-hexahydroazulen-1(2H)-one + (3S,5R,8S)-3-hydroxy-3,8-dimethyl-5-(prop-1-en-2-yl)-3,4,5,6,7,8-hexahydroazulen-1(2H)-one + (3aS,4S,7R,8aS)-4-methyl-1-methylidene-7-(prop-1-en-2-yl)-hexahydro-1H,4H-3a,8a-epoxyazulene + (3aR,4S,7R,8aR)-4-methyl-1-methylidene-7-(prop-1-en-2-yl)-hexahydro-1H,4H-3a,8a-epoxyazulene + (4S,4aS,6R,8aR)-4a-hydroxy-4,8a-dimethyl-6-(prop-1-en-2-yl)octahydronaphthalen-1(2H)-one-methane (97094-19-4) + (2S,3S,6R)-3-methyl-2-(3-oxobutyl)-6-(prop-1-en-2-yl)-cycloheptanone + (3S,5R,8S)-3,8-dimethyl-5-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2H-azulen-1-one (18374-76-0) + (4S,4aR,6R,8aR)-4a-hydroxy-4,8a-dimethyl-6-(prop-1-en-2-yl)octahydronaphthalen-1(2H)-one (97094-19-4)

Guidance literature:

at 50 ℃; for 20h;

DOI:10.1021/np500819f

upstream raw materials:

(1S,4S,7R)-7-Isopropenyl-1,4-dimethyl-1,2,3,4,5,6,7,8-octahydro-azulene

Wieland-Miescher ketone

(+/-)-5c-Acetoxy-2-aethylendioxy-8t,8at-epoxy-4ex-methyl-decalin

acetic acid (1S*,8aS*)-(+/-)-8a-methyl-6-oxo-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl ester