11-Hydroxy-6,10-dimethylundeca-5,9-dien-2-one

Base Information

• Chemical Name: 11-Hydroxy-6,10-dimethylundeca-5,9-dien-2-one
• CAS No.: 93525-18-9
• Molecular Formula: C13H22O2
• Molecular Weight: 210.316
• DSSTox Substance ID: DTXSID00705861

Synonyms:93525-18-9;11-Hydroxy-6,10-dimethylundeca-5,9-dien-2-one;DTXSID00705861

Chemical Property of 11-Hydroxy-6,10-dimethylundeca-5,9-dien-2-one

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 210.161979940
• Heavy Atom Count: 15
• Complexity: 249

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCC(=O)C)CCC=C(C)CO

Technology Process of 11-Hydroxy-6,10-dimethylundeca-5,9-dien-2-one

There total 1 articles about 11-Hydroxy-6,10-dimethylundeca-5,9-dien-2-one 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:

trans geranyl acetone (3796-70-1) → (5E,9E)-11-hydroxy-6,10-dimethyl-5,9-undecadien-2-one (93525-18-9) + (S,E)-9,10-dihydroxy-6,10-dimethylundec-5-en-2-one (38343-54-3) + 2,11-dihydroxy-6,10-dimethyl-5E,9E-undecadiene + (S)-(+)-geranylacetol (53837-34-6)

Guidance literature:

at 30 ℃; for 72h; Aspergillus niger om a potato dextrose agar (PDA) slant; pH 7.0;

Reference yield:

(5E,9E)-11-hydroxy-6,10-dimethyl-5,9-undecadien-2-one (93525-18-9) → (+/-)-β-elemene (515-13-9,13833-25-5,33880-83-0,68036-14-6,100762-52-5,110823-68-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 75 percent / Hg(CF₃COO)2 / Ambient temperature

2: 80 percent / 6 h / 200 °C

3: TiCl₃, Zn-Cu / 1,2-dimethoxy-ethane / 34 h / Heating

With titanium(III) chloride; Hg(II) trifluoroacetate; copper; zinc; In 1,2-dimethoxyethane;

DOI:10.1016/S0040-4039(00)98953-6

upstream raw materials:

trans geranyl acetone

Downstream raw materials:

(+/-)-β-elemene

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