Albene

Base Information

• Chemical Name: Albene
• CAS No.: 38451-64-8
• Molecular Formula: C12H18
• Molecular Weight: 162.27132
• UNII: FWK3TL8U3H
• Nikkaji Number: J17.009G
• Wikidata: Q9593998
• Mol file: 38451-64-8.mol

Synonyms:Albene;(-)-Albene;FWK3TL8U3H;UNII-FWK3TL8U3H;38451-64-8;(3aS,4S,7R,7aS)-3a,4,5,6,7,7a-Hexahydro-3a,7a-dimethyl-4,7-methano-1H-indene;4,7-Methano-1H-indene, 3a,4,5,6,7,7a-hexahydro-3a,7a-dimethyl-, (3aS,4S,7R,7aS)-;RCL T199699;AKOS024321946

Chemical Property of Albene

Chemical Property:

• PSA: 0.00000
• LogP: 3.38880
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 162.140850574
• Heavy Atom Count: 12
• Complexity: 253

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CC=CC1(C3CCC2C3)C
• Isomeric SMILES: C[C@@]12CC=C[C@@]1([C@H]3CC[C@@H]2C3)C

Technology Process of Albene

There total 6 articles about Albene 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:

(1S,3aR,4S,7R,7aR)-3a,7a-Dimethyl-octahydro-4,7-methano-indene-1-carboxylic acid (66649-10-3) → (3aR,4R,7S,7aR)-3a,7a-Dimethyl-3a,4,5,6,7,7a-hexahydro-1H-4,7-methano-indene (38451-64-8,66791-61-5,67180-07-8,70493-41-3,131232-78-5)

Guidance literature:

With pyridine; lead(IV) acetate; In benzene;

Reference yield:

Bicycloheptanendo-ol (66701-33-5) → (3aR,4R,7S,7aR)-3a,7a-Dimethyl-3a,4,5,6,7,7a-hexahydro-1H-4,7-methano-indene (38451-64-8,66791-61-5,67180-07-8,70493-41-3,131232-78-5)

Guidance literature:

Multi-step reaction with 3 steps

2: aq. H₂O₂, (CF₃CO)2O, H₂SO₄

3: Py, Pb(OAc)4 / benzene

With pyridine; lead(IV) acetate; sulfuric acid; dihydrogen peroxide; trifluoroacetic anhydride; In benzene;

Reference yield:

1-((1S,3aR,4S,7R,7aR)-3a,7a-Dimethyl-octahydro-4,7-methano-inden-1-yl)-ethanone (66748-84-3) → (3aR,4R,7S,7aR)-3a,7a-Dimethyl-3a,4,5,6,7,7a-hexahydro-1H-4,7-methano-indene (38451-64-8,66791-61-5,67180-07-8,70493-41-3,131232-78-5)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. H₂O₂, (CF₃CO)2O, H₂SO₄

2: Py, Pb(OAc)4 / benzene

With pyridine; lead(IV) acetate; sulfuric acid; dihydrogen peroxide; trifluoroacetic anhydride; In benzene;

upstream raw materials:

(1S,3aR,4S,7R,7aR)-3a,7a-Dimethyl-octahydro-4,7-methano-indene-1-carboxylic acid

Bicycloheptanendo-ol

1-((1S,3aR,4S,7R,7aR)-3a,7a-Dimethyl-octahydro-4,7-methano-inden-1-yl)-ethanone