3,3'-DIFLUOROBIPHENYL

Base Information

• Chemical Name: 3,3'-DIFLUOROBIPHENYL
• CAS No.: 396-64-5
• Molecular Formula: C12H8F2
• Molecular Weight: 190.192
• Hs Code.: 2903999090
• European Community (EC) Number: 206-905-9
• UNII: JR3CX6JE5U
• DSSTox Substance ID: DTXSID20192714
• Nikkaji Number: J79.611E
• Wikidata: Q83065376
• Mol file: 396-64-5.mol

Synonyms:Biphenyl,3,3'-difluoro- (6CI,8CI);3,3'-Difluoro-1,1'-biphenyl;3,3'-Difluorobiphenyl;3,3'-Difluorodiphenyl;m,m'-Difluorobiphenyl;

Chemical Property of 3,3'-DIFLUOROBIPHENYL

Chemical Property:

• Melting Point: 7-8 °C
• Refractive Index: 1.568
• Boiling Point: 262.2 °C at 760 mmHg
• Flash Point: 92.7 °C
• PSA: 0.00000
• Density: 1.165 g/cm³
• LogP: 3.63180
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Difficult to mix.
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 190.05940658
• Heavy Atom Count: 14
• Complexity: 161

Purity/Quality:

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

3,3''-Difluorobiphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)F)C2=CC(=CC=C2)F
• Uses: 3,3'-Difluorobiphenyl is used materials in ferroelectric display devices

Technology Process of 3,3'-DIFLUOROBIPHENYL

There total 29 articles about 3,3'-DIFLUOROBIPHENYL 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: 92.0%

3-fluorophenylboronic acid (768-35-4) → 3,3'-difluoro-biphenyl (396-64-5)

Guidance literature:

With nano-CuO-grafted triazine-functionalized covalent organic framework; In methanol; at 60 ℃; Catalytic behavior;

DOI:10.1016/j.mcat.2019.110650

Reference yield: 91.4%

1-Fluoro-3-iodobenzene (1121-86-4) + 3-fluorophenylboronic acid (768-35-4) → 3,3'-difluoro-biphenyl (396-64-5)

Guidance literature:

With iodine; potassium carbonate; In toluene; at 70 ℃; for 7h; under 750.075 Torr; Inert atmosphere;

DOI:10.1016/j.inoche.2020.108368

Reference yield: 89.0%

carbon monoxide (201230-82-2) + cyclohex-1-en-1-yl trifluoromethane sulfonate (28075-50-5) + bromo(3-fluorophenyl)magnesium (17318-03-5) → C13H13FO (1030239-91-8) + 3,3'-difluoro-biphenyl (396-64-5)

Guidance literature:

bromo(3-fluorophenyl)magnesium; With zinc dibromide; In tetrahydrofuran; at 20 ℃;

carbon monoxide; cyclohex-1-en-1-yl trifluoromethane sulfonate; With magnesium bromide; nickel dichloride; In tetrahydrofuran; dimethyl sulfoxide; at 50 ℃; for 0.333333h; under 760.051 Torr; Further stages.;

DOI:10.1016/j.tetlet.2008.03.035

upstream raw materials:

1-Fluoro-3-iodobenzene

1-bromo-4-methoxy-benzene

3-chlorofluorobenzene

3-fluorobromobenzene

Downstream raw materials:

2,8-difluoro-5-(trifluoromethyl)-5H-dibenzo[b,d]thiophen-5-ium trifluoromethanesulfonate

3,3'-Difluor-1,4-dihydrobiphenyl

Refernces

• 1、 Zhang, Bo-Sheng,Yang, Ying-Hui,Wang, Fan,Gou, Xue-Ya,Wang, Xi-Cun,Liang, Yong-Min,Li, Yuke,Quan, Zheng-Jun. "Reductive Coupling of Aryl Halides via C—H Activation of Indene". . p. 1573 - 1579. Retrieved 2021/05/28.
• 2、 Gargaro, Samantha L.,Dunson, Bre'Shon,Sieber, Joshua D.. "Identification of a Surprising Boronic Acid Homocoupling Process in Suzuki-Miyaura Cross-Coupling Reactions Utilizing a Hindered Fluorinated Arene". supporting information. p. 511 - 516. Retrieved 2020/09/21.