1,3-Bis(3-bromophenyl)benzene

Base Information

• Chemical Name: 1,3-Bis(3-bromophenyl)benzene
• CAS No.: 95962-62-2
• Molecular Formula: C18H12Br2
• Molecular Weight: 388.101
• DSSTox Substance ID: DTXSID70477346
• Wikidata: Q72465051
• Mol file: 95962-62-2.mol

Synonyms:95962-62-2;3,3''-Dibromo-1,1':3',1''-terphenyl;1,3-bis(3-bromophenyl)benzene;1,1':3',1''-Terphenyl, 3,3''-dibromo-;3,3''-Dibromo-m-terphenyl;SCHEMBL191276;YSZC1929;DTXSID70477346;VDA96262;MFCD28138089;AKOS027460731;SB66577;AS-63236;CS-0182940;D4999;FT-0729497;3-bromo-3'-(3-bromophenyl)-1,1'-biphenyl;F16137

Chemical Property of 1,3-Bis(3-bromophenyl)benzene

Chemical Property:

• Melting Point: 53.0 to 57.0 °C
• Boiling Point: 225°C/0.4mmHg(lit.)
• PSA: 0.00000
• Density: 1.537±0.06 g/cm3(Predicted)
• LogP: 6.54560
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 387.92853
• Heavy Atom Count: 20
• Complexity: 276

Purity/Quality:

98% ^*data from raw suppliers

3,3''-Dibromo-1,1':3',1''-terphenyl >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C2=CC(=CC=C2)Br)C3=CC(=CC=C3)Br

Technology Process of 1,3-Bis(3-bromophenyl)benzene

There total 12 articles about 1,3-Bis(3-bromophenyl)benzene 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: 51.0%

1,3-dibromobenzene (108-36-1) + 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane (196212-27-8) → 3,3''-dibromo-1,1':3',1''-terphenyl (95962-62-2)

Guidance literature:

With potassium phosphate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 80 ℃; for 16h; Schlenk technique;

DOI:10.1039/c7nj03712k

Reference yield: 50.0%

1,3-Diiodobenzene (626-00-6) + (3-bromophenyl)boronic acid (89598-96-9) → 3,3''-dibromo-1,1':3',1''-terphenyl (95962-62-2)

Guidance literature:

With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In water; toluene; for 7.5h;

Reference yield:

m-bromobenzoic aldehyde (3132-99-8) → 3,3''-dibromo-1,1':3',1''-terphenyl (95962-62-2)

Guidance literature:

Multi-step reaction with 4 steps

1: NaOH, MeOH

2: NaOEt, EtOH

3: aq. NaOH / ethanol / Heating

4: (i) NaBH₄, aq. NaOH, (ii) NaHSO₄, (iii) Br₂, CHCl₃

With methanol; sodium hydroxide; ethanol; sodium ethanolate; In ethanol;

DOI:10.1021/jo01045a006

upstream raw materials:

3,3-diamino-m-terphenyl

3,5-Bis-<3-brom-phenyl>-cyclohex-2-enon

m-iodonitrobenzene

1,3-Diiodobenzene

Downstream raw materials:

m,o,o,m,o,o-hexaphenylene

m-hexaphenylene

m,m,m,o,m,o-hexaphenylene

C₅H₄NC₁₈H₁₂C₅H₄N

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