4-n-Decylbiphenyl

Base Information

• Chemical Name: 4-n-Decylbiphenyl
• CAS No.: 93972-02-2
• Molecular Formula: C22H30
• Molecular Weight: 294.48
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID50384286
• Nikkaji Number: J1.992.807A
• Wikidata: Q82176304
• Mol file: 93972-02-2.mol

Synonyms:4-n-Decylbiphenyl;93972-02-2;1-decyl-4-phenylbenzene;4-Decylbiphenyl;4-decyl-1,1'-biphenyl;4-Decyl-biphenyl;Maybridge1_002181;4-decyl-1,1'-diphenyl;HMS547L03;DTXSID50384286;BTB 10314;AKOS015839764;AS-57832;CS-0366596;FT-0757308

Chemical Property of 4-n-Decylbiphenyl

Chemical Property:

• Vapor Pressure: 1.47E-06mmHg at 25°C
• Melting Point: 52-54°C
• Refractive Index: 1.521
• Boiling Point: 204-210°C 1,5mm
• Flash Point: 223.3°C
• PSA: 0.00000
• Density: 0.921g/cm³
• LogP: 7.03680
• Water Solubility.: Insoluble in water.
• XLogP3: 9.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 10
• Exact Mass: 294.234750957
• Heavy Atom Count: 22
• Complexity: 243

Purity/Quality:

99% ^*data from raw suppliers

4-N-DECYLBIPHENYL 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCC1=CC=C(C=C1)C2=CC=CC=C2
• Uses: Intermediates of Liquid Crystals PDLC monomer. As chemical reagent.

Technology Process of 4-n-Decylbiphenyl

There total 8 articles about 4-n-Decylbiphenyl 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: 93.0%

1-bromo-4-n-decyl benzene (106418-67-1) + phenylboronic acid (98-80-6) → 4-n-decylbiphenyl (93972-02-2)

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

Reference yield: 90.1%

1-bromo dodecane (112-29-8) + 4-biphenylylmagnesium bromide (3315-91-1) → 4-n-decylbiphenyl (93972-02-2)

Guidance literature:

With iron(III) chloride; N,N,N,N,-tetramethylethylenediamine; In tetrahydrofuran; at -5 ℃; for 0.5h;

DOI:10.14233/ajchem.2013.14469

Reference yield: 55.0%

n-decyl magnesium bromide (17049-50-2) + 4'-biphenyl chloride (2051-62-9,80333-62-6) → 4-n-decylbiphenyl (93972-02-2)

Guidance literature:

With 1,2-bis(diphenylphosphino)ethane nickel(II) chloride; In tetrahydrofuran; Heating;

DOI:10.1021/ja0371404

upstream raw materials:

4-Decanoyl-biphenyl

n-decyl magnesium bromide

4'-biphenyl chloride

biphenyl

Downstream raw materials:

1,3-di-(4'-decylbiphenyl-4-yl)-propane-1,3-dione

1-(4'-decylphenyl-4-yl)-3-(4'-ethylbiphenyl-4-yl)propane-1,3-dione

1-(4'-decylbiphenyl-4-yl)-3-(4-methoxyphenyl)propane-1,3-dione

1-(4'-decylbiphenyl-4-yl)-3-(4-methylphenyl)propane-1,3-dione

Refernces

• 1、 Dai,Liu,Zhang,Wei,Guan. "Iron-catalyzed cross-coupling reaction of alkyl halides with biphenyl grignard reagent". . p. 6303 - 6305. Retrieved 2013/07/26.
• 2、 Thompson, Neil J.,Gray, George W.,Goodby, John W.,Toyne, Kenneth J.. "The Liquid-Crystalline Properties of Copper(II) Complexes of β-Diketones". . p. 109 - 132. Retrieved 2007/10/02.