4-Bromo-5'-phenyl-1,1':3',1''-terphenyl

Base Information

• Chemical Name: 4-Bromo-5'-phenyl-1,1':3',1''-terphenyl
• CAS No.: 116941-52-7
• Molecular Formula: C24H17Br
• Molecular Weight: 385.303
• DSSTox Substance ID: DTXSID401281172
• Nikkaji Number: J808.142E
• Mol file: 116941-52-7.mol

Synonyms:116941-52-7;4-Bromo-5'-phenyl-1,1':3',1''-terphenyl;1-(4-Bromophenyl)-3,5-diphenylbenzene;1,1':3',1''-Terphenyl, 4-bromo-5'-phenyl-;MFCD26407506;1,1/':3/',1/'/'-Terphenyl, 4-broMo-5/'-phenyl-;5'-(4-Bromophenyl)-1,1':3',1''-terphenyl;SCHEMBL4827144;4-Bromo-5'-phenyl-m-terphenyl;5'-(4-Bromophenyl)-m-terphenyl;DTXSID401281172;AKOS024438161;SB66678;BS-43845;SY055734;B4889;T70118;1,1':3',1''-Terphenyl,4-bromo-5'-phenyl-;A893482;4-Bromo-5 inverted exclamation mark -phenyl-1,1 inverted exclamation mark :3 inverted exclamation mark ,1 inverted exclamation mark inverted exclamation mark -terphenyl

Chemical Property of 4-Bromo-5'-phenyl-1,1':3',1''-terphenyl

Chemical Property:

• Melting Point: 150.5-151.0℃
• Boiling Point: 505.1±19.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.278±0.06 g/cm3 (20 oC 760 Torr)
• LogP: 7.45010
• XLogP3: 7.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 384.05136
• Heavy Atom Count: 25
• Complexity: 359

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-5''-phenyl-1,1'':3'',1''''-terphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC(=CC(=C2)C3=CC=C(C=C3)Br)C4=CC=CC=C4
• Uses: 4-Bromo-5''-phenyl-1,1'':3'',1''''-terphenyl is used in preparation of dibenzofuran derivatives as organic electroluminescent device materials.

Technology Process of 4-Bromo-5'-phenyl-1,1':3',1''-terphenyl

There total 3 articles about 4-Bromo-5'-phenyl-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: 95.0%

1,4-bromoiodobenzene (589-87-7) + 3,5-diphenylphenylboronic acid (128388-54-5) → 4-bromo-5’-phenyl-1,1’:3’,1’’-terphenyl (116941-52-7)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In 1,4-dioxane; water; for 12h; Inert atmosphere; Reflux;

Reference yield: 87.0%

2-([1,1':3′,1''-terphenyl]-5'-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (1036378-83-2) + 1,4-bromoiodobenzene (589-87-7) → 4-bromo-5’-phenyl-1,1’:3’,1’’-terphenyl (116941-52-7)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In tetrahydrofuran; at 80 ℃; for 8h; Inert atmosphere;

Reference yield:

acetic anhydride (108-24-7) + 4-(4-Brom-phenyl)-2,6-diphenyl-thiopyrylium-perchlorat → 4-bromo-5’-phenyl-1,1’:3’,1’’-terphenyl (116941-52-7) + 2-Acetoxy-6-(4-brom-phenyl)-4-phenyl-thiobenzophenon (118428-70-9)

Guidance literature:

With sodium acetate; for 6h; Yield given. Yields of byproduct given; Heating;

upstream raw materials:

acetic anhydride

1,4-bromoiodobenzene

3,5-diphenylphenylboronic acid

2-([1,1':3′,1''-terphenyl]-5'-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Downstream raw materials:

(5'-phenyl[1,1':3',1-terphenyl]-4-yl)boronic acid

C₃₈H₂₅Br

C₃₈H₂₆