Bisacurol

Base Information

• Chemical Name: Bisacurol
• CAS No.: 120681-80-3
• Molecular Formula: C₁₅H₂₄O
• Molecular Weight: 220.355
• Nikkaji Number: J2.380.084E
• Wikidata: Q105145165
• Mol file: 120681-80-3.mol

Synonyms:Bisacurol;CHEBI:195964;KRPZTCZJBVPGEM-UHFFFAOYSA-N;(4R,6S)-2-Methyl-6-((S)-4-methylenecyclohex-2-en-1-yl)hept-2-en-4-ol;2-METHYL-6-(4-METHYLIDENECYCLOHEX-2-EN-1-YL)HEPT-2-EN-4-OL;2-Cyclohexene-1-propanol,.gamma.-methyl-4-methylene-.alpha.-(2-methyl-1-propen-1-yl)-, (.alpha.R,.gamma.S,1S)-

Chemical Property of Bisacurol

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 220.182715385
• Heavy Atom Count: 16
• Complexity: 295

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(C=C(C)C)O)C1CCC(=C)C=C1

Technology Process of Bisacurol

There total 1 articles about Bisacurol 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:

(S)-2-methyl-6-((R)-4-methylcyclohexa-2-en-1-yl)hept-2-en-4-one (170705-10-9) → (S)-2-Methyl-6-((R)-4-methylene-cyclohex-2-enyl)-hept-2-en-4-ol (120681-80-3)

Guidance literature:

With sodium tetrahydroborate; In methanol;

DOI:10.1039/P19920001519

Reference yield:

(4R,6S)-2-methyl-6-((S)-4-methylenecyclohex-2-en-1-yl)hept-2-en-4-ol (120681-80-3) → (S)-2-methyl-6-((R)-4-methylcyclohexa-2-en-1-yl)hept-2-en-4-one (170705-10-9)

Guidance literature:

With manganese(IV) oxide; In tetrachloromethane; at 60 ℃; for 0.5h;

Reference yield:

4-bromobenzoic anhydride (1633-33-6) + (4R,6S)-2-methyl-6-((S)-4-methylenecyclohex-2-en-1-yl)hept-2-en-4-ol (120681-80-3) → 4-Bromo-benzoic acid (R)-3-methyl-1-[(S)-2-((S)-4-methylene-cyclohex-2-enyl)-propyl]-but-2-enyl ester (120681-87-0)

Guidance literature:

With pyridine; In dichloromethane; for 2h; Ambient temperature;

upstream raw materials:

(S)-2-methyl-6-((R)-4-methylcyclohexa-2-en-1-yl)hept-2-en-4-one

Downstream raw materials:

4-Bromo-benzoic acid (R)-3-methyl-1-[(S)-2-((S)-4-methylene-cyclohex-2-enyl)-propyl]-but-2-enyl ester

(S)-2-methyl-6-((R)-4-methylcyclohexa-2-en-1-yl)hept-2-en-4-one