1,1':4',1'':3'',1''':4''',1''''-Quinquephenyl, 5''-(4-biphenylyl)-

Base Information

• Chemical Name: 1,1':4',1'':3'',1''':4''',1''''-Quinquephenyl, 5''-(4-biphenylyl)-
• CAS No.: 6326-64-3
• Molecular Formula: C42H30
• Molecular Weight: 534.7
• NSC Number: 30664
• Nikkaji Number: J700.203C
• Mol file: 6326-64-3.mol

Synonyms:6326-64-3;1,1':4',1'':3'',1''':4''',1''''-Quinquephenyl, 5''-(4-biphenylyl)-;1,3,5-Tris(4-biphenylyl)benzene;1,3,5-tris(4-phenylphenyl)benzene;1,3,5-Tri(4-biphenyl)benzene;1,1':4',1'':3'',1''':4''',1''''-Quinquephenyl, 5''-[1,1'-biphenyl]-4-yl-;5''-([1,1'-Biphenyl]-4-yl)-1,1':4',1'':3'',1''':4''',1''''-quinquephenyl;NSC30664;MFCD23382303;NSC-30664;AKOS017345235;T3461;D95447;1,1'':3'',1''':4''',1''''-Quinquephenyl, 5''-(4-biphenylyl)-;1,1'':3'',1''':4''',1''''-Quinquephenyl, 5''-[1,1'-biphenyl]-4-yl-

Chemical Property of 1,1':4',1'':3'',1''':4''',1''''-Quinquephenyl, 5''-(4-biphenylyl)-

Chemical Property:

• Melting Point: 230-231 °C
• Boiling Point: 752.0±55.0 °C(Predicted)
• Flash Point: 413.7oC
• PSA: 0.00000
• Density: 1.111±0.06 g/cm3(Predicted)
• LogP: 11.68860
• XLogP3: 11.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 534.234750957
• Heavy Atom Count: 42
• Complexity: 639

Purity/Quality:

97% ^*data from raw suppliers

1,3,5-Tris(4-biphenylyl)benzene ^*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=C(C=C2)C3=CC(=CC(=C3)C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C7=CC=CC=C7

Technology Process of 1,1':4',1'':3'',1''':4''',1''''-Quinquephenyl, 5''-(4-biphenylyl)-

There total 18 articles about 1,1':4',1'':3'',1''':4''',1''''-Quinquephenyl, 5''-(4-biphenylyl)- 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: 99.0%

biphenyl-4-acetaldehyde (92-91-1) → 1,3,5-tris(1,1'-biphenyl-4-yl)benzene (6326-64-3)

Guidance literature:

With trichloro(trifluoromethanesulfonato)titanium(IV); at 90 - 100 ℃; for 10h;

DOI:10.1055/s-1998-1875

Reference yield: 96.0%

1,3,5-tris(4-bromophenyl)benzene (7511-49-1) + phenylboronic acid (98-80-6) → 1,3,5-tris(1,1'-biphenyl-4-yl)benzene (6326-64-3)

Guidance literature:

With potassium phosphate tribasic trihydrate; C₂₁H₂₆ClN₂OPd; In ethanol; water; toluene; at 75 ℃; for 5h;

DOI:10.1016/j.tet.2009.11.072

Reference yield: 75.0%

triphenylindium (3958-47-2) + 1,3,5-tris[4-[(trifluoromethanesulfonyl)oxy]phenyl]benzene (214049-70-4) → 1,3,5-tris(1,1'-biphenyl-4-yl)benzene (6326-64-3)

Guidance literature:

(1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride;

DOI:10.1039/b206346h

upstream raw materials:

biphenyl-4-acetaldehyde

aniline

1,3,5-Triiodobenzene

4-iodo-biphenyl

Downstream raw materials:

biphenyl-4-carboxylic acid