2,4-Difluoro-1-[3-fluoro-4-(4-propylphenyl)phenyl]benzene

Base Information

• Chemical Name: 2,4-Difluoro-1-[3-fluoro-4-(4-propylphenyl)phenyl]benzene
• CAS No.: 154346-21-1
• Molecular Formula: C₂₁H₁₇F₃
• Molecular Weight: 326.361
• European Community (EC) Number: 412-990-5,806-828-6
• DSSTox Substance ID: DTXSID001009904
• Nikkaji Number: J2.566.035H
• Wikidata: Q81983542
• Mol file: 154346-21-1.mol

Synonyms:154346-21-1;2,4-difluoro-1-[3-fluoro-4-(4-propylphenyl)phenyl]benzene;2',2'',4'''-Trifluor-4-propyl-1,1':4',1''-terphenyl;SCHEMBL8726493;DTXSID001009904;2',2'',4''-trifluoro-4-propyl-1,1':4',1''-terphenyl

Chemical Property of 2,4-Difluoro-1-[3-fluoro-4-(4-propylphenyl)phenyl]benzene

Chemical Property:

• Boiling Point: 414.4±45.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.157±0.06 g/cm3(Predicted)
• LogP: 0.00000
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 326.12823503
• Heavy Atom Count: 24
• Complexity: 377

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC1=CC=C(C=C1)C2=C(C=C(C=C2)C3=C(C=C(C=C3)F)F)F

Technology Process of 2,4-Difluoro-1-[3-fluoro-4-(4-propylphenyl)phenyl]benzene

There total 3 articles about 2,4-Difluoro-1-[3-fluoro-4-(4-propylphenyl)phenyl]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: 85.2%

4'-chloro-2,4,3'-trifluoro-biphenyl + 4-propylphenylboric acid (134150-01-9) → 4-propyl-2,4,3'-trifluoro-[1,1 '; 4', 1]terphenyl (154346-21-1)

Guidance literature:

With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; palladium diacetate; potassium carbonate; In tetrahydrofuran; water; at 60 - 70 ℃; for 2h; Inert atmosphere;

Reference yield: 83.0%

4'-propyl-2-fluoro-4-bromobiphenyl (116831-33-5) + 2,4-difluorophenylboronic acid (144025-03-6) → 4-propyl-2,4,3'-trifluoro-[1,1 '; 4', 1]terphenyl (154346-21-1)

Guidance literature:

With 5%-palladium/activated carbon; tetrabutylammomium bromide; sodium hydrogencarbonate; In water; N,N-dimethyl-formamide; for 2h; Reflux;

Reference yield:

2-chloro-5-bromofluorobenzene (60811-18-9) → 4-propyl-2,4,3'-trifluoro-[1,1 '; 4', 1]terphenyl (154346-21-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: magnesium / tetrahydrofuran / 1 h / 20 - 30 °C

1.2: 2 h / 0 - 10 °C

2.1: potassium carbonate; palladium diacetate; dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane / tetrahydrofuran; water / 60 - 70 °C / Inert atmosphere

3.1: potassium carbonate; palladium diacetate; dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane / tetrahydrofuran; water / 2 h / 60 - 70 °C / Inert atmosphere

With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; palladium diacetate; potassium carbonate; magnesium; In tetrahydrofuran; water;

upstream raw materials:

4'-propyl-2-fluoro-4-bromobiphenyl

2,4-difluorophenylboronic acid

4-propylphenylboric acid

2-chloro-5-bromofluorobenzene