2,2''-Dimethyl-p-terphenyl

Base Information

• Chemical Name: 2,2''-Dimethyl-p-terphenyl
• CAS No.: 53092-64-1
• Molecular Formula: C20H18
• Molecular Weight: 258.363
• European Community (EC) Number: 258-357-5
• DSSTox Substance ID: DTXSID00201171
• Nikkaji Number: J282.355A
• Wikidata: Q83074353
• Mol file: 53092-64-1.mol

Synonyms:2,2''-Dimethyl-p-terphenyl;53092-64-1;1,4-bis(2-methylphenyl)benzene;EINECS 258-357-5;2.2''-Dimethyl-p-terphenyl;1.4-Di-o-toluylbenzol;2,2'-dimethyl-p-terphenyl;DTXSID00201171;RCL R999903;MFCD03092880;1,4-Bis-(2-methyl-phenyl)-benzene;AKOS024345884

Chemical Property of 2,2''-Dimethyl-p-terphenyl

Chemical Property:

• Melting Point: 145.5-146 °C(Solv: hexane (110-54-3))
• Boiling Point: 394.5±22.0 °C(Predicted)
• Flash Point: 187oC
• PSA: 0.00000
• Density: 1.022±0.06 g/cm3(Predicted)
• LogP: 5.63740
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 258.140850574
• Heavy Atom Count: 20
• Complexity: 256

Purity/Quality:

98%Min ^*data from raw suppliers

1-METHYL-2-[4-(2-METHYLPHENYL)PHENYL]BENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1C2=CC=C(C=C2)C3=CC=CC=C3C

Technology Process of 2,2''-Dimethyl-p-terphenyl

There total 31 articles about 2,2''-Dimethyl-p-terphenyl 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%

ortho-methylphenyl iodide (615-37-2) + benzene-1,4-diboronic acid bispinacol ester (99770-93-1) → 2,2”-dimethyl-1,1‘:4’,1“-terphenyl (53092-64-1)

Guidance literature:

With silver carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; for 16h; Heating;

DOI:10.1055/s-2002-25773

Reference yield: 97.0%

ortho-tolylmagnesium bromide (932-31-0) + para-difluorobenzene (540-36-3) → 2,2”-dimethyl-1,1‘:4’,1“-terphenyl (53092-64-1)

Guidance literature:

With C₃₅H₃₁BrN₄NiP; In tetrahydrofuran; at 70 ℃; for 22h; Schlenk technique; Inert atmosphere;

DOI:10.1021/jo302425x

Reference yield: 95.0%

1.4-dibromobenzene (106-37-6) + 2-Methylphenylboronic acid (16419-60-6) → 2,2”-dimethyl-1,1‘:4’,1“-terphenyl (53092-64-1)

Guidance literature:

With potassium phosphate monohydrate; palladium dichloride; 3-(diphenylphosphino)propionic acid; In dimethyl sulfoxide; at 100 ℃; for 12h; Schlenk technique;

DOI:10.1080/00397911.2015.1126606

upstream raw materials:

bromochlorobenzene

ortho-tolylmagnesium bromide

1,4-dibromo-2,5-diiodobenzene

1.4-dibromobenzene

Downstream raw materials:

2,2''-Bis(cyanomethyl)-p-terphenyl

6,13-Dimethyldibenzanthracen

Refernces

• 1、 Dulski, Mateusz,Ksiazek, Maria,Kus, Piotr,Kusz, Joachim,Nowok, Andrzej,Pawlus, Sebastian,Szeremeta, Anna Z.,Zubko, Maciej. "Role of intermolecular interactions and conformational changes in the polymorphism and vitrification process of 2,2''-bis-substitutedpara-terphenyls". . p. 3164 - 3178. Retrieved 2020/05/25.
• 2、 -. "EFFICIENT CATALYST FOR THE FORMATION OF POLYARYL HYDROCARBONS SUITABLE AS PRECURSORS FOR POLYDENTATE ORGANOPHOSPHORUS CATALYST LIGANDS". Paragraph 0056; 0057; 0058; 0059; 0060; 0061; 0062. . Retrieved 2018/03/25.