3',5'-Difluoro-4-propylbiphenyl

Base Information

• Chemical Name: 3',5'-Difluoro-4-propylbiphenyl
• CAS No.: 137528-87-1
• Molecular Formula: C15H14F2
• Molecular Weight: 232.273
• DSSTox Substance ID: DTXSID10576125
• Nikkaji Number: J2.099.437A
• Wikidata: Q72502816
• Mol file: 137528-87-1.mol

Synonyms:3',5'-Difluoro-4-propylbiphenyl;137528-87-1;1,3-difluoro-5-(4-propylphenyl)benzene;3,5-difluoro-4'-propylbihenyl;3,5-difluoro-4'-propylbiphenyl;3,5-difluoro-4'-propyl-1,1'-Biphenyl;1,1'-Biphenyl, 3,5-difluoro-4'-propyl-;3,5-difluoro-4/'-propylbihenyl;SCHEMBL714257;DTXSID10576125;AKOS015919550;SB66691;3,5-difluoro-1-(4-propylphenyl)benzene;G64874;A851986;J-511322

Chemical Property of 3',5'-Difluoro-4-propylbiphenyl

Chemical Property:

• Appearance/Colour: White solid
• Melting Point: 25.015℃ (acetic acid )
• Boiling Point: 302.805 °C at 760 mmHg
• Flash Point: 114.183 °C
• PSA: 0.00000
• Density: 1.093 g/cm³
• LogP: 4.58430
• Storage Temp.: 2-8°C
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 232.10635677
• Heavy Atom Count: 17
• Complexity: 211

Purity/Quality:

98%,99%, ^*data from raw suppliers

3',5'-Difluoro-4-propylbiphenyl 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3',5'-Difluoro-4-propylbiphenyl

There total 4 articles about 3',5'-Difluoro-4-propylbiphenyl 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: 88.0%

p-bromo-n-propylbenzene (588-93-2) + 3,5-difluorophenylboronic acid (156545-07-2) → 3,5-difluoro-4'-propylbiphenyl (137528-87-1)

Guidance literature:

With sodium carbonate; palladium on activated charcoal; In ethanol; at 80 ℃; for 19h;

DOI:10.1016/S0040-4039(00)76884-5

Reference yield: 85.6%

3,5-difluorobromobenzene (461-96-1) + 4-propylphenylboric acid (134150-01-9) → 3,5-difluoro-4'-propylbiphenyl (137528-87-1)

Guidance literature:

With potassium carbonate; bis-triphenylphosphine-palladium(II) chloride; In Solmix A-11; toluene; for 2h; Inert atmosphere; Reflux;

Reference yield: 84.58%

→ 3,5-difluoro-4'-propylbiphenyl (137528-87-1)

Guidance literature:

With magnesium; In tetrahydrofuran; for 1h; Inert atmosphere; Reflux; Green chemistry;

In tetrahydrofuran; at 50 - 85 ℃; for 8h; Green chemistry;

upstream raw materials:

p-bromo-n-propylbenzene

3,5-difluorophenylboronic acid

3,5-difluorobromobenzene

4-propylphenylboric acid

Downstream raw materials:

4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluoro-4'-propylbiphenyl

Refernces

• 1、 -. "Synthetic method of directly coupling aryl halide by aromatic hydrocarbon Grignard reagent in the presence of recycled modified palladium-charcoal". Paragraph 0015; 0016; 0017; 0018. . Retrieved 2016/10/08.
• 2、 -. "LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT". Page/Page column 50. . Retrieved 2009/12/07.