1,8-Diphenyloctane

Base Information

• Chemical Name: 1,8-Diphenyloctane
• CAS No.: 35511-91-2
• Molecular Formula: C20H26
• Molecular Weight: 266.426
• DSSTox Substance ID: DTXSID50500005
• Wikidata: Q82351321
• Mol file: 35511-91-2.mol

Synonyms:1,8-diphenyloctane;35511-91-2;octane, 1,8-diphenyl-;DTXSID50500005;1,1'-(Octane-1,8-diyl)dibenzene

Chemical Property of 1,8-Diphenyloctane

Chemical Property:

• Boiling Point: 208-210 °C(Press: 8 Torr)
• PSA: 0.00000
• Density: 0.944±0.06 g/cm3(Predicted)
• LogP: 5.81240
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 9
• Exact Mass: 266.203450829
• Heavy Atom Count: 20
• Complexity: 184

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2

Technology Process of 1,8-Diphenyloctane

There total 26 articles about 1,8-Diphenyloctane 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: 70.0%

4-phenylbutyl 4-methylbenzenesulfonate (112775-09-4) → 1,8-diphenyloctane (35511-91-2)

Guidance literature:

With manganese; chloro-trimethyl-silane; vitamin B₁₂; [NiBr₂(phen)]; In dimethyl sulfoxide; at 30 ℃; for 24h; Inert atmosphere; Schlenk technique;

DOI:10.3390/molecules24081458

Reference yield: 35.0%

1-Chloro-4-phenylbutane (4830-93-7) → tetralin (119-64-2) + 4-Phenylbut-1-ene (768-56-9) + 1-butylbenzene (104-51-8) + 1,8-diphenyloctane (35511-91-2)

Guidance literature:

In N,N-dimethyl-formamide; at 20 ℃; for 75h; electrolysis; Zn cathode, platinum anode; -1.8 V vs SCE; 0.1 mol/l Ba(ClO₄)2;

Reference yield: 20.0%

1,6-diphenyl-hexa-1,3,5-triene (1720-32-7) → 1,4-diphenylbutane (1083-56-3) + 1,6-diphenylhexane (1087-49-6) + 1,8-diphenyloctane (35511-91-2) + 1,10-diphenyldecane (35511-93-4) + 1,12-diphenyldodecane (5368-74-1) + 1,14-diphenyltetradecane (73992-36-6) + 1,1'-(1,2-ethanediyl)bisbenzene (103-29-7)

Guidance literature:

1,6-diphenyl-hexa-1,3,5-triene; With tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride; In toluene; at 20 ℃; for 24h; Schlenk technique; Inert atmosphere;

With palladium on activated charcoal; hydrogen; In ethanol; toluene; at 20 ℃; Schlenk technique;

DOI:10.1016/j.jorganchem.2017.04.018

upstream raw materials:

5-Phenylpentanoic acid

1,8-diphenylocta-1,3,5,7-tetrayne

1,8-diphenylcyclooctatetraene

trans-1,8-diphenyloct-4-en-1,7-diyne

Downstream raw materials:

p,p'-Octamethylen-bis(2-bromacetophenon)

p,p'-Bis-(1,2-dioxo-2-phenylethyl)-1,8-diphenyloctan

4,4'-octanediyl-di-benzaldehyde

C₃₄H₄₀N₄O₂⁽²⁺⁾*2Br^(1-)