1,1':2',1''-Terphenyl, 4,4''-dimethyl-

Base Information

• Chemical Name: 1,1':2',1''-Terphenyl, 4,4''-dimethyl-
• CAS No.: 64586-14-7
• Molecular Formula: C20H18
• Molecular Weight: 258.363
• DSSTox Substance ID: DTXSID60479819
• Nikkaji Number: J2.215.762K
• Wikidata: Q82314090
• Mol file: 64586-14-7.mol

Synonyms:1,1':2',1''-Terphenyl, 4,4''-dimethyl-;64586-14-7;DTXSID60479819

Chemical Property of 1,1':2',1''-Terphenyl, 4,4''-dimethyl-

Chemical Property:

• XLogP3: 6.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 258.140850574
• Heavy Atom Count: 20
• Complexity: 248

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=CC=CC=C2C3=CC=C(C=C3)C

Technology Process of 1,1':2',1''-Terphenyl, 4,4''-dimethyl-

There total 3 articles about 1,1':2',1''-Terphenyl, 4,4''-dimethyl- 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: 76.0%

1,2-Diiodobenzene (615-42-9) + 4-methylphenylboronic acid (5720-05-8) → 2-iodo-4'-methylbiphenyl (14385-93-4) + 4,4′′-dimethyl-o-terphenyl (64586-14-7)

Guidance literature:

With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; potassium phosphate; tricyclohexylphosphine; In tetrahydrofuran; for 20h; Inert atmosphere;

DOI:10.1055/s-0031-1290455

Reference yield: 74.0%

2-chlorophenyl 4-methylbenzenesulfonate (599-76-8) + di(p-tolyl)borinic acid (66117-64-4) → 4,4′′-dimethyl-o-terphenyl (64586-14-7) + C20H18O3S (1519010-75-3)

Guidance literature:

With NiCl₂(Tris-(4-methoxy-phenyl)-phosphin)2; potassium phosphate tribasic trihydrate; P(p-CH₃OC₆H₄)3; In toluene; at 110 ℃; for 10h; Concentration; Inert atmosphere;

DOI:10.1021/cs4009946

Reference yield:

2-bromo-1-chlorobenzene (694-80-4) + para-methylphenylmagnesium bromide (4294-57-9) → 2-chloro-4'-methyl-1,1'-biphenyl (19493-33-5) + 4,4′′-dimethyl-o-terphenyl (64586-14-7)

Guidance literature:

With palladium diacetate; In tetrahydrofuran; at 60 ℃; for 20h;

DOI:10.1021/ol061989i

upstream raw materials:

1,2-Diiodobenzene

4-methylphenylboronic acid

2-bromo-1-chlorobenzene

para-methylphenylmagnesium bromide