4-Octylbiphenyl

Base Information

• Chemical Name: 4-Octylbiphenyl
• CAS No.: 7116-97-4
• Molecular Formula: C20H26
• Molecular Weight: 266.426
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID40221353
• Nikkaji Number: J832.865J
• Wikidata: Q72497506
• Mol file: 7116-97-4.mol

Synonyms:4-Octylbiphenyl;4-n-Octylbiphenyl;7116-97-4;4-Octyl-1,1'-biphenyl;4-Octyldiphenyl;1-octyl-4-phenylbenzene;1,1'-Biphenyl, 4-octyl-;BRN 2045441;4-05-00-02003 (Beilstein Handbook Reference);Biphenyl, 4-octyl-;3-Acetylbenzenesulfonylfluoride;DTXSID40221353;MFCD00102113;AKOS015917696;Biphenyl, 4-octyl- (6CI,7CI,8CI);LS-44454;FT-0736070

Chemical Property of 4-Octylbiphenyl

Chemical Property:

• Vapor Pressure: 1.11E-05mmHg at 25°C
• Refractive Index: 1.527
• Boiling Point: 381.5 °C at 760 mmHg
• Flash Point: 201.2 °C
• PSA: 0.00000
• Density: 0.929g/cm³
• LogP: 6.25660
• XLogP3: 8.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 8
• Exact Mass: 266.203450829
• Heavy Atom Count: 20
• Complexity: 218

Purity/Quality:

98%Min ^*data from raw suppliers

4-N-Octylbiphenyl ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC1=CC=C(C=C1)C2=CC=CC=C2

Technology Process of 4-Octylbiphenyl

There total 13 articles about 4-Octylbiphenyl 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: 100.0%

bromobenzene (108-86-1,52753-63-6) + (4-octylphenyl)boronic acid (133997-05-4) → 4-octyl-1,1′-biphenyl (7116-97-4)

Guidance literature:

With sodium dodecyl-sulfate; sodium carbonate; butan-1-ol; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In water; toluene; for 0.0833333h; Heating;

DOI:10.1016/j.tetlet.2008.01.013

Reference yield: 97.0%

octylmagnesium bromide (17049-49-9) + 4'-biphenyl chloride (2051-62-9,80333-62-6) → 4-octyl-1,1′-biphenyl (7116-97-4)

Guidance literature:

octylmagnesium bromide; With iron(III) trifluoride; N,N′-bis(2,6-diisopropylphenyl)imidazol-2-ylidene hydrochloride; In tetrahydrofuran; at 0 ℃; Inert atmosphere;

4'-biphenyl chloride; In tetrahydrofuran; at 20 - 40 ℃; for 24h; Inert atmosphere;

DOI:10.1055/s-0034-1380361

Reference yield: 94.0%

1-bromo-4-octylbenzene (51554-93-9) + phenylboronic acid (98-80-6) → 4-octyl-1,1′-biphenyl (7116-97-4)

Guidance literature:

With potassium phosphate tribasic; (1-methylimidazol-2-yl)diphenylphosphine; palladium dichloride; In ethanol; water; at 80 ℃; for 3h; Inert atmosphere;

DOI:10.1002/aoc.3249

upstream raw materials:

1-biphenyl-4-yl-octan-1-one

biphenyl

n-octanoic acid chloride

bromobenzene

Downstream raw materials:

biphenyl-4-carboxylic acid

4-octyl-4'-cyanobiphenyl