4-Chloro-2-fluoro-1,1'-biphenyl

Base Information

• Chemical Name: 4-Chloro-2-fluoro-1,1'-biphenyl
• CAS No.: 39224-18-5
• Molecular Formula: C₁₂H₈ClF
• Molecular Weight: 206.647
• DSSTox Substance ID: DTXSID70593131
• Wikidata: Q82487550
• Mol file: 39224-18-5.mol

Synonyms:4-Chloro-2-fluoro-1,1'-biphenyl;39224-18-5;2-Fluoro-4-chloro biphenyl;4-chloro-2-fluoro-1-phenylbenzene;4-Chloro-2-fluoro-biphenyl;4-chloro-2-fluorobiphenyl;C12H8ClF;SCHEMBL7821378;DTXSID70593131;PSNGWQFGVRISIB-UHFFFAOYSA-N;4-Chloro-2-fluoro-1,1-biphenyl;AMY17087;MFCD20267653;AKOS015951138;DS-18903;DB-153738;DB-218830;CS-0156487;C74997

Chemical Property of 4-Chloro-2-fluoro-1,1'-biphenyl

Chemical Property:

• Boiling Point: 276.9±20.0 °C(Predicted)
• Density: 1.209±0.06 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 206.0298561
• Heavy Atom Count: 14
• Complexity: 177

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-2-fluoro-1,1'-biphenyl 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(C=C(C=C2)Cl)F

Technology Process of 4-Chloro-2-fluoro-1,1'-biphenyl

There total 10 articles about 4-Chloro-2-fluoro-1,1'-biphenyl 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: 78.0%

phenylzinc chloride (28557-00-8) + 4-chloro-2-fluorophenyl trifluoromethanesulfonate (154267-22-8) → 4-chloro-2-fluoro-1,1'-biphenyl (39224-18-5)

Guidance literature:

With di-μ-iodobis(tri-t-butylphosphino)dipalladium(l); In 1-methyl-pyrrolidin-2-one; at 20 ℃; for 0.166667h; chemoselective reaction;

DOI:10.1002/anie.201808386

Reference yield: 72.0%

4-chloro-2-fluoro-1-iodobenzene (6797-79-1) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 4-chloro-2-fluoro-1,1'-biphenyl (39224-18-5)

Guidance literature:

With N-methyl-o-aminobenzyl alcohol; potassium tert-butylate; at 100 ℃; for 24h; Sealed tube;

DOI:10.1039/d0ra01845g

Reference yield:

2'-bromo-4-chloro-2-fluorobiphenyl → 4-chloro-2-fluoro-1,1'-biphenyl (39224-18-5)

Guidance literature:

2'-bromo-4-chloro-2-fluorobiphenyl; With n-butyllithium; In diethyl ether; at -78 - -50 ℃; for 2h;

In methanol;

DOI:10.1002/anie.201708892

upstream raw materials:

4-chloro-2-fluorophenylboronic acid

4-chloro-2-fluoro-1-iodobenzene

4-chloro-2-fluorophenol

phenylzinc chloride