1,5,9-Trimethylcyclododeca-1,5,9-triene

Base Information

• Chemical Name: 1,5,9-Trimethylcyclododeca-1,5,9-triene
• CAS No.: 21064-19-7
• Molecular Formula: C15H24
• Molecular Weight: 204.356
• Hs Code.: 2902199090
• European Community (EC) Number: 244-190-5
• DSSTox Substance ID: DTXSID4066674
• Mol file: 21064-19-7.mol

Synonyms:1,5,9-Trimethylcyclododeca-1,5,9-triene;21064-19-7;DTXSID4066674

Chemical Property of 1,5,9-Trimethylcyclododeca-1,5,9-triene

Chemical Property:

• Vapor Pressure: 0.00288mmHg at 25°C
• Boiling Point: 294.3°Cat760mmHg
• Flash Point: 119°C
• PSA: 0.00000
• Density: 0.828g/cm³
• LogP: 5.17950
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 204.187800766
• Heavy Atom Count: 15
• Complexity: 229

Purity/Quality:

98%min ^*data from raw suppliers

1,5,9-TRIMETHYL-1,5,9-CYCLODODECATRIENE MIXTURE OF ISOMERS Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CCCC(=CCCC(=CCC1)C)C

Technology Process of 1,5,9-Trimethylcyclododeca-1,5,9-triene

There total 9 articles about 1,5,9-Trimethylcyclododeca-1,5,9-triene 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: 3.0%

C15H25O7P2(3-) → trans,trans,trans-1,5,9-trimethyl-1,5,9-cyclododecatriene (21064-19-7) + (4E,8E)-1,5,9-trimethyl-cyclododeca-4,8-dien-1-ol

Guidance literature:

With germacrene A synthase from Streptomyces mobaraensis; ammonium bicarbonate; In aq. buffer; at 28 ℃; pH=7.6; Enzymatic reaction;

DOI:10.1002/chem.202103049

Reference yield:

isoprene (78-79-5,9003-31-0) → 1,6,9-trimethylcyclododeca-1,5,9-triene (21115-77-5) + 1,5-dimethyl-1,5-cyclooctadiene (73022-52-3,3760-14-3) + 1,5,9-trimethyl-1,5,9-cyclododecatriene (21064-19-7) + 1,6-dimethyl-1,5-cyclooctadiene (3760-13-2)

Guidance literature:

bis(acetylacetonate)nickel(II); 1,5-cis,cis-cyclooctadiene; diethylaluminum ethoxide; ethriol phosphite; In toluene; at 90 ℃; for 24h; Product distribution / selectivity;

Reference yield:

isoprene (78-79-5,9003-31-0) → trans,trans,trans-1,5,9-trimethyl-1,5,9-cyclododecatriene (21064-19-7) + 1,5,10-trimethyl-trans,trans,trans-1,5,9-cyclododecatriene

Guidance literature:

With ethriol phosphite; bis(acetylacetonate)nickel(II); triethylaluminum; In toluene; at 100 ℃; for 6h; Product distribution; Variation of catalyst and solvent.;

upstream raw materials:

isoprene

Downstream raw materials:

6,10,14-Trimethyl-2-pentadecanon

6,10,14-trimethyl-5,9,13-pentadecatriene-2-on

isophytol

(6E,10E)-geranyllinalool