4'-Bromo-[1,1'-biphenyl]-4-carbaldehyde

Base Information

• Chemical Name: 4'-Bromo-[1,1'-biphenyl]-4-carbaldehyde
• CAS No.: 50670-58-1
• Molecular Formula: C13H9BrO
• Molecular Weight: 261.118
• Hs Code.: 2913000090
• European Community (EC) Number: 805-530-3
• DSSTox Substance ID: DTXSID70362642
• Nikkaji Number: J844.102B
• Wikidata: Q72451987
• Mol file: 50670-58-1.mol

Synonyms:50670-58-1;4'-Bromo-[1,1'-biphenyl]-4-carbaldehyde;4-(4-bromophenyl)benzaldehyde;4'-Bromo-[1,1'-biphenyl]-4-carboxaldehyde;4'-BROMO-BIPHENYL-4-CARBALDEHYDE;4'-bromobiphenyl-4-carbaldehyde;4-Bromo-4'-Acetyldiphenyl;SCHEMBL258580;DTXSID70362642;4'-bromo-4-biphenylcarboxaldehyde;MFCD05980925;AKOS004116585;AS-2085;FT-0731193;A853110

Chemical Property of 4'-Bromo-[1,1'-biphenyl]-4-carbaldehyde

Chemical Property:

• Melting Point: 135-140 °C
• Boiling Point: 374.1 °C at 760 mmHg
• Flash Point: 100.7 °C
• PSA: 17.07000
• Density: 1.430g/cm³
• LogP: 3.92860
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 259.98368
• Heavy Atom Count: 15
• Complexity: 201

Purity/Quality:

97% ^*data from raw suppliers

4''-Bromo[1,1''-biphenyl]-4-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=O)C2=CC=C(C=C2)Br
• Uses: 4''-Bromo[1,1''-biphenyl]-4-carbaldehyde is a reagent for the synthesis of zinc quaterphenylterpyridine complexes.

Technology Process of 4'-Bromo-[1,1'-biphenyl]-4-carbaldehyde

There total 16 articles about 4'-Bromo-[1,1'-biphenyl]-4-carbaldehyde 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) + 4-formylphenylboronic acid, (87199-17-5) → 4-formyl-4'-bromobiphenyl (50670-58-1)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In ethanol; water; toluene; for 12h; Inert atmosphere;

DOI:10.1016/j.dyepig.2017.01.028

Reference yield: 95.0%

4-(4-bromophenyl)bromobenzene (92-86-4) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 4-formyl-4'-bromobiphenyl (50670-58-1)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; 1.) -78 deg C, 15 min, 2.) r.t., 2 h;

DOI:10.1039/a607269k

Reference yield: 93.0%

4-Bromophenylboronic acid (5467-74-3) + 4-bromo-benzaldehyde (1122-91-4) → 4-formyl-4'-bromobiphenyl (50670-58-1)

Guidance literature:

With potassium carbonate; In ethyl acetate; at 90 ℃; for 1.5h; Catalytic behavior;

DOI:10.1002/aoc.5172

upstream raw materials:

p-hydroxymethylphenylboronic acid

(4-Bromo-phenyl)-chloromethoxymethyl-dimethyl-silane

4-(4-bromophenyl)bromobenzene

N,N-dimethyl-formamide

Downstream raw materials:

(E)-3-(4'-Bromo-biphenyl-4-yl)-acrylic acid ethyl ester

<4-(4-bromophenyl)phenyl>methanol

methyl 4’-bromo-[1,1’-diphenyl]-4-carboxylate