1,1'-Biphenyl, 4-heptyl-

Base Information

• Chemical Name: 1,1'-Biphenyl, 4-heptyl-
• CAS No.: 59662-32-7
• Molecular Formula: C19H24
• Molecular Weight: 252.4
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID9069346
• Nikkaji Number: J429.395I
• Wikidata: Q72481401
• Mol file: 59662-32-7.mol

Synonyms:4-n-Heptylbiphenyl;59662-32-7;1,1'-Biphenyl, 4-heptyl-;4-Heptyl-1,1'-biphenyl;1-heptyl-4-phenylbenzene;p-Heptylbiphenyl;4-Heptylbiphenyl;82832-74-4;[1,1'-Biphenyl]-4-ol, 4'-heptyl-;4-Heptyl-biphenyl;4-Heptyl-1,1'-biphenyl #;DTXSID9069346;MFCD00051790;AKOS015917899;FT-0618579

Chemical Property of 1,1'-Biphenyl, 4-heptyl-

Chemical Property:

• Vapor Pressure: 3.02E-05mmHg at 25°C
• Melting Point: 28 °C
• Refractive Index: 1.5538
• Boiling Point: 366.7 °C at 760 mmHg
• Flash Point: 189.7 °C
• PSA: 0.00000
• Density: 0.934 g/cm³
• LogP: 5.86650
• XLogP3: 7.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 7
• Exact Mass: 252.187800766
• Heavy Atom Count: 19
• Complexity: 206

Purity/Quality:

98%Min ^*data from raw suppliers

4-HEPTYL-1,1'-BIPHENYL 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC1=CC=C(C=C1)C2=CC=CC=C2

Technology Process of 1,1'-Biphenyl, 4-heptyl-

There total 7 articles about 1,1'-Biphenyl, 4-heptyl- 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: 62.0%

1-([1,1'-biphenyl]-4-yl)heptan-1-one (59662-27-0) → 4-heptyl-1,1'-biphenyl (59662-32-7)

Guidance literature:

With potassium hydroxide; hydrazine hydrate; In diethylene glycol; at 130 ℃; for 3h;

Reference yield:

n-hexylzirconocene chloride + biphenyl-4-methylchloride (1667-11-4) → 4-heptyl-1,1'-biphenyl (59662-32-7)

Guidance literature:

With C₆₀H₇₂Br₂N₄Ni; tetrabutylammonium p-toluenesulfonate; In tetrahydrofuran; at 20 ℃; for 24h; Inert atmosphere; Irradiation; Sealed tube;

DOI:10.1016/j.chempr.2019.12.010

Reference yield:

Heptanoic acid chloride (2528-61-2) → 4-heptyl-1,1'-biphenyl (59662-32-7)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃ / CH₂Cl₂ / 5 h / Ambient temperature

2: 1) hydrazine hydrate, 2) KOH / 1) diethylene glycol, 130 deg C, 1 h, 2) diethylene glycol, 130 deg C, 2 h, then 160 deg C, 3 h

With potassium hydroxide; aluminium trichloride; hydrazine hydrate; In dichloromethane;

upstream raw materials:

1-([1,1'-biphenyl]-4-yl)heptan-1-one

biphenyl

Heptanoic acid chloride

biphenyl-4-methylchloride

Downstream raw materials:

(R)-3-[2-(4'-Heptyl-biphenyl-4-yl)-ethyl]-5-pentyl-dihydro-furan-2-one

(R)-3-[2-(4'-Heptyl-biphenyl-4-yl)-ethyl]-5-pentyl-3-phenylsulfanyl-dihydro-furan-2-one

(R)-5-Butyl-3-[3-(4'-heptyl-biphenyl-4-yl)-propyl]-3-phenylsulfanyl-dihydro-furan-2-one

4-heptyl-4'-cyanobiphenyl

Refernces

• 1、 Ruolene, Yu. I.,Adomenas, P. V.,Sirutkaitis, R. A.,Denis, G. I.. "SYNTHESIS OF 4-ALKYL-4'-CYANOBIPHENYLS". . p. 1187 - 1191. Retrieved 2007/10/02.