(4aR,6aR,6aS,6bR,8aS,12aS,14bR)-2,2,4a,6a,6b,9,9,12a-octamethyl-1,3,4,5,6,6a,7,8,8a,12,13,14b-dodecahydropicene

Base Information

• Chemical Name: (4aR,6aR,6aS,6bR,8aS,12aS,14bR)-2,2,4a,6a,6b,9,9,12a-octamethyl-1,3,4,5,6,6a,7,8,8a,12,13,14b-dodecahydropicene
• CAS No.: 640-25-5
• Molecular Formula: C30H48
• Molecular Weight: 408.711
• DSSTox Substance ID: DTXSID301316269
• Nikkaji Number: J38.625A
• Mol file: 640-25-5.mol

Synonyms:Oleana-2,12-diene;640-25-5;DTXSID301316269

Chemical Property of (4aR,6aR,6aS,6bR,8aS,12aS,14bR)-2,2,4a,6a,6b,9,9,12a-octamethyl-1,3,4,5,6,6a,7,8,8a,12,13,14b-dodecahydropicene

Chemical Property:

• Melting Point: 144 - 145 °C
• PSA: 0.00000
• LogP: 8.97410
• XLogP3: 10.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 408.375601531
• Heavy Atom Count: 30
• Complexity: 795

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC=CC5(C)C)C)C)C2C1)C)C)C
• Isomeric SMILES: C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC=CC5(C)C)C)C)[C@@H]1CC(CC2)(C)C)C

Technology Process of (4aR,6aR,6aS,6bR,8aS,12aS,14bR)-2,2,4a,6a,6b,9,9,12a-octamethyl-1,3,4,5,6,6a,7,8,8a,12,13,14b-dodecahydropicene

There total 15 articles about (4aR,6aR,6aS,6bR,8aS,12aS,14bR)-2,2,4a,6a,6b,9,9,12a-octamethyl-1,3,4,5,6,6a,7,8,8a,12,13,14b-dodecahydropicene 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:

β-amyrone (118916-58-8,144666-18-2,638-97-1) → oleana-2,12-diene (640-25-5)

Guidance literature:

Multi-step reaction with 2 steps

1: BF₃-Et₂O / acetic acid

2: Raney-Ni / acetone / Heating

With boron trifluoride diethyl etherate; nickel; In acetic acid; acetone;

DOI:10.1039/P19730000654

Reference yield:

beta-amyrin (559-70-6) → oleana-2,12-diene (640-25-5)

Guidance literature:

With pyridine; p-toluenesulfonyl chloride; at 100 ℃;

DOI:10.1002/ardp.19372750802

Reference yield:

3-Benzylthio-oleana-2,12-dien (40768-64-7) → oleana-2,12-diene (640-25-5)

Guidance literature:

nickel; In acetone; Heating;

DOI:10.1039/P19730000654

upstream raw materials:

pyridine

beta-amyrin

p-toluenesulfonyl chloride

β-amyrin benzoate

Downstream raw materials:

olean-13⁽¹⁸⁾-ene