4,4''-Dimethyl-(1,1',3',1'')terphenyl

Base Information

• Chemical Name: 4,4''-Dimethyl-(1,1',3',1'')terphenyl
• CAS No.: 19399-68-9
• Molecular Formula: C20H18
• Molecular Weight: 258.363
• European Community (EC) Number: 651-886-6
• Nikkaji Number: J1.948.435A
• Mol file: 19399-68-9.mol

Synonyms:4,4''-DIMETHYL-(1,1',3',1'')TERPHENYL;AKOS024330608

Chemical Property of 4,4''-Dimethyl-(1,1',3',1'')terphenyl

Chemical Property:

• XLogP3: 6.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 258.140850574
• Heavy Atom Count: 20
• Complexity: 250

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4,4''-Dimethyl-(1,1',3',1'')terphenyl

There total 2 articles about 4,4''-Dimethyl-(1,1',3',1'')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: 27.0%

1,3-dibromobenzene (108-36-1) + 4-methylphenylboronic acid (5720-05-8) → 3-bromo-4'-methylbiphenyl (844856-52-6) + 1,3-di(p-tolyl)benzene (19399-68-9)

Guidance literature:

With disodium[(N,N’-bis(2-hydroxy-5-sulfonatobenzyl)-1,2-diphenyl-1,2-diaminoethano)palladate(II)]; caesium carbonate; In water; at 80 ℃; for 1h;

DOI:10.3390/molecules25173993

Reference yield:

1-methoxy-3-(methoxymethoxy)benzene (57234-28-3) + para-methylphenylmagnesium bromide (4294-57-9) → 1,3-di(p-tolyl)benzene (19399-68-9)

Guidance literature:

With bis(tricyclohexylphosphine)nickel(II) dichloride; tricyclohexylphosphine; In di-isopropyl ether; at 80 ℃; for 15h;

DOI:10.1002/anie.200453765

Reference yield: 83.0%

1,3-di(p-tolyl)benzene (19399-68-9) → 1,3-bis[4-(bromomethyl)phenyl]benzene (19399-69-0)

Guidance literature:

With N-Bromosuccinimide; Perbenzoic acid; In tetrachloromethane; for 40h; Heating;

DOI:10.1016/0040-4020(94)01016-S

upstream raw materials:

1-methoxy-3-(methoxymethoxy)benzene

para-methylphenylmagnesium bromide

1,3-dibromobenzene

4-methylphenylboronic acid

Downstream raw materials:

1,3-bis[4-(bromomethyl)phenyl]benzene

[1,1':3',1-terphenyl]-4,4-dicarbaldehyde

4,4''-Bis-(4-chloromethyl-phenoxymethyl)-[1,1';3',1'']terphenyl

{4-[4''-(4-Hydroxymethyl-phenoxymethyl)-[1,1';3',1'']terphenyl-4-ylmethoxy]-phenyl}-methanol

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