2,3-Difluoro-4'-propyl-1,1'-Biphenyl

Base Information

• Chemical Name: 2,3-Difluoro-4'-propyl-1,1'-Biphenyl
• CAS No.: 126163-02-8
• Molecular Formula: C15H14F2
• Molecular Weight: 232.273
• DSSTox Substance ID: DTXSID70568809
• Wikidata: Q72464136
• Mol file: 126163-02-8.mol

Synonyms:126163-02-8;2,3-Difluoro-4'-propyl-1,1'-Biphenyl;2,3-DIFLUORO-4'-PROPYLBIPHENYL;1,2-difluoro-3-(4-propylphenyl)benzene;1,1'-Biphenyl, 2,3-difluoro-4'-propyl-;2,3-Difluoro-4/'-propyl-1,1/'-biphenyl;SCHEMBL1599469;AMY8664;DTXSID70568809;AKOS015917654;SB66758;AC-23888

Chemical Property of 2,3-Difluoro-4'-propyl-1,1'-Biphenyl

Chemical Property:

• Boiling Point: 302.1 °C at 760 mmHg
• Flash Point: 113.8 °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: 221

Purity/Quality:

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

2,3-Difluoro-4'-propyl-1,1'-biphenyl 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=C(C(=CC=C2)F)F

Technology Process of 2,3-Difluoro-4'-propyl-1,1'-Biphenyl

There total 4 articles about 2,3-Difluoro-4'-propyl-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:

p-bromo-n-propylbenzene (588-93-2) + (2,3-difluorophenyl)boronic acid (121219-16-7) → 2,3-difluoro-4-(4-propylphenyl)benzene (126163-02-8)

Guidance literature:

p-bromo-n-propylbenzene; (2,3-difluorophenyl)boronic acid; With potassium carbonate; In water; acetone; for 0.333333h; Inert atmosphere; Reflux;

With palladium diacetate; In water; acetone; for 6h; Inert atmosphere; Reflux;

DOI:10.1039/c3tc31461h

Reference yield:

ortho-difluorobenzene (367-11-3) → 2,3-difluoro-4-(4-propylphenyl)benzene (126163-02-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: n-butyllithium / tetrahydrofuran

1.3: Acidic conditions

2.1: potassium carbonate / water; acetone / 0.33 h / Inert atmosphere; Reflux

2.2: 6 h / Inert atmosphere; Reflux

With n-butyllithium; potassium carbonate; In tetrahydrofuran; water; acetone; 2.1: |Suzuki-Miyaura Coupling / 2.2: |Suzuki-Miyaura Coupling;

DOI:10.1039/c3tc31461h

Reference yield:

→ 4-hydroxy-2,3-difluoro-4'-propylbiphenyl + 2,3-difluoro-4-(4-propylphenyl)benzene (126163-02-8)

Guidance literature:

upstream raw materials:

p-bromo-n-propylbenzene

(2,3-difluorophenyl)boronic acid

ortho-difluorobenzene

Refernces

• 1、 Choluj, Artur,Kula, Przemyslaw,Dabrowski, Roman,Tykarska, Marzena,Jaroszewicz, Leszek. "Synthesis and mesomorphic properties of laterally fluorinated alkyl 4′′-alkylterphenyl-4-yl carbonate liquid crystals". . p. 891 - 900. Retrieved 2014/01/23.
• 2、 -. "Derivatives of 2,3-difluorobenzoic acid". . . Retrieved 2008/06/13.