1,3,6,8-Tetramethylcycloocta-1,3,5,7-tetraene

Base Information

• Chemical Name: 1,3,6,8-Tetramethylcycloocta-1,3,5,7-tetraene
• CAS No.: 17340-07-7
• Molecular Formula: C12H16
• Molecular Weight: 160.259
• DSSTox Substance ID: DTXSID70775874
• Nikkaji Number: J517.131H
• Wikidata: Q82737477
• Mol file: 17340-07-7.mol

Synonyms:1,3,6,8-tetramethylcycloocta-1,3,5,7-tetraene;17340-07-7;DTXSID70775874

Chemical Property of 1,3,6,8-Tetramethylcycloocta-1,3,5,7-tetraene

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 160.125200510
• Heavy Atom Count: 12
• Complexity: 266

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C(C=C1)C)C)C
• Isomeric SMILES: C/C/1=C/C(=C(\C=C(/C=C1)\C)/C)/C

Technology Process of 1,3,6,8-Tetramethylcycloocta-1,3,5,7-tetraene

There total 3 articles about 1,3,6,8-Tetramethylcycloocta-1,3,5,7-tetraene 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:

prop-1-yne (74-99-7) → 1,2,4-Trimethylbenzene (95-63-6) + 2,4-dimethyl-1,3-heptadien-5-yne (67399-71-7) + 1,2,4,7-tetramethylcyclooctatetraene (17340-07-7) + 1,3,5-trimethyl-benzene (108-67-8)

Guidance literature:

bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; In toluene; at 90 ℃; for 20h; Further byproducts given. Title compound not separated from byproducts;

Reference yield:

prop-1-yne (74-99-7) → 1,3,5,7-tetramethylcyclooctatetraene (24624-64-4,29212-88-2) + 1,2,4-Trimethylbenzene (95-63-6) + 2,4-dimethyl-1,3-heptadien-5-yne (67399-71-7) + 1,2,4,6-tetramethylcyclooctatetraene (67399-70-6) + 1,2,4,7-tetramethylcyclooctatetraene (17340-07-7) + 1,3,5-trimethyl-benzene (108-67-8)

Guidance literature:

bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; In toluene; at 90 ℃; for 20h;

Reference yield:

propargyl alcohol (107-19-7) → 1,3,5,7-tetramethylcyclooctatetraene (24624-64-4,29212-88-2) + 1,2,4-Trimethylbenzene (95-63-6) + 1,2,4,7-tetramethylcyclooctatetraene (17340-07-7) + 1,3,5-trimethyl-benzene (108-67-8)

Guidance literature:

bis(cinnamic anil)nickel⁽⁰⁾; at 114 ℃; for 2h; Product distribution; effect of use of var. solvents, var. nickel catalysts, and var. temp.; effect of catalyst poisons;

upstream raw materials:

propargyl alcohol

prop-1-yne