8-(1,1-Dimethylethyl)-3,5-bis(2,2-dimethylpropyl)-7-thiabicyclo[4.2.0]octa-1,3,5-triene

Base Information

• Chemical Name: 8-(1,1-Dimethylethyl)-3,5-bis(2,2-dimethylpropyl)-7-thiabicyclo[4.2.0]octa-1,3,5-triene
• CAS No.: 86563-38-4
• Molecular Formula: C₂₁H₃₄S
• Molecular Weight: 318.567
• DSSTox Substance ID: DTXSID501124743

Synonyms:DTXSID501124743;8-(1,1-Dimethylethyl)-3,5-bis(2,2-dimethylpropyl)-7-thiabicyclo[4.2.0]octa-1,3,5-triene;86563-38-4

Chemical Property of 8-(1,1-Dimethylethyl)-3,5-bis(2,2-dimethylpropyl)-7-thiabicyclo[4.2.0]octa-1,3,5-triene

Chemical Property:

• XLogP3: 6.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 318.23812226
• Heavy Atom Count: 22
• Complexity: 376

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)CC1=CC(=C2C(=C1)C(S2)C(C)(C)C)CC(C)(C)C

Technology Process of 8-(1,1-Dimethylethyl)-3,5-bis(2,2-dimethylpropyl)-7-thiabicyclo[4.2.0]octa-1,3,5-triene

There total 1 articles about 8-(1,1-Dimethylethyl)-3,5-bis(2,2-dimethylpropyl)-7-thiabicyclo[4.2.0]octa-1,3,5-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: 54.0%

n-butyl 2,4,6-trineopentylphenyl sulfoxide (86563-37-3) → 2-tert-butyl-4,6-dineopentylbenzothiete (86563-38-4) + 3,3-dimethyl-4,4-dihydro-6,8-dineopentylbenzothiapyran (86563-39-5) + bis(2,4,6-trineopentylphenyl) disulfide (344768-14-5)

Guidance literature:

at 600 ℃;

DOI:10.1021/jo00166a028

upstream raw materials:

n-butyl 2,4,6-trineopentylphenyl sulfoxide

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