3-Fluorobiphenyl

Base Information

• Chemical Name: 3-Fluorobiphenyl
• CAS No.: 2367-22-8
• Molecular Formula: C12H9 F
• Molecular Weight: 172.202
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID20178336
• Nikkaji Number: J240.182G
• Wikidata: Q83048726
• Mol file: 2367-22-8.mol

Synonyms:3-Fluorobiphenyl;2367-22-8;3-Fluoro-1,1'-biphenyl;1-fluoro-3-phenylbenzene;1,1'-Biphenyl, 3-fluoro-;meta-Fluorodiphenyl;3-Fluoro-biphenyl;Biphenyl, 3-fluoro-;1,1'-Biphenyl, 3-fluoro- (9CI);1-fluoranyl-3-phenyl-benzene;SCHEMBL200605;MRCAAFFMZODJBP-UHFFFAOYSA-;DTXSID20178336;CAA36722;MFCD01740506;AKOS006278753;BS-22097;LS-44387;A816835

Chemical Property of 3-Fluorobiphenyl

Chemical Property:

• Vapor Pressure: 0.0199mmHg at 25°C
• Melting Point: 26-27 °C
• Boiling Point: 260.4°Cat760mmHg
• Flash Point: 96.8°C
• PSA: 0.00000
• Density: 1.083g/cm³
• LogP: 3.49270
• Storage Temp.: Room temperature.
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 172.068828449
• Heavy Atom Count: 13
• Complexity: 149

Purity/Quality:

99%, ^*data from raw suppliers

3-Fluorobiphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Fluorobiphenyl

There total 44 articles about 3-Fluorobiphenyl 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: 100.0%

3-fluorobromobenzene (1073-06-9) + phenylboronic acid (98-80-6) → 3-fluorobiphenyl (2367-22-8)

Guidance literature:

3-fluorobromobenzene; phenylboronic acid; With potassium phosphate; In isopropyl alcohol; at 20 ℃; for 4h;

[Pd2(μ-Cl)2{{(C2F5)2O}2H}2]; In isopropyl alcohol; at 20 ℃; for 20h;

Reference yield: 99.0%

3-chlorofluorobenzene (625-98-9) + phenylboronic acid (98-80-6) → 3-fluorobiphenyl (2367-22-8)

Guidance literature:

With potassium phosphate; C₂₂H₂₃Br₂N₃Pd; In water; isopropyl alcohol; at 20 ℃; for 5h; Reagent/catalyst;

DOI:10.1016/j.tetlet.2016.12.071

Reference yield: 98.0%

3-fluorophenylboronic acid (768-35-4) + chlorobenzene (108-90-7) → 3-fluorobiphenyl (2367-22-8)

Guidance literature:

With potassium phosphate; C₂₀H₂₈Br₂N₂Pd; In water; isopropyl alcohol; at 25 ℃; for 16h; Reagent/catalyst;

DOI:10.1021/acs.organomet.8b00883

upstream raw materials:

iodobenzene

1-Fluoro-3-iodobenzene

fluorobenzene

benzenediazonium tetrafluoroborate

Downstream raw materials:

1-(3’-fluorobiphenyl-4-yl)ethanone

[1,1'-biphenyl]-3-yltriethylsilane

2-([1,1’-biphenyl]-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Refernces

• 1、 Bader, Julia,Berger, Raphael J. F.,Stammler, Hans-Georg,Mitzel, Norbert W.,Hoge, Berthold. "First solid-state structures of real diorganyl phosphinous acids R 2POH (R=CF3, C2F5)". . p. 13420 - 13423. Retrieved 2011.
• 2、 Sekiya,Ishikawa. "". . p. 281,284. Retrieved 1977.
• 3、 Bolton et al.. "". . p. 591,593, 599. Retrieved 1978.
• 4、 Allefeld, Nadine,Kurscheid, Boris,Neumann, Beate,Stammler, Hans-Georg,Ignat'Ev, Nikolai,Hoge, Berthold. "Coordination Properties of Perfluoroethyl- and Perfluorophenyl-Substituted Phosphonous acids, RfP(OH)2". . p. 13666 - 13675. Retrieved 2015.
• 5、 Yang, Quanlu,Yang, Fawang,Zhang, Ying,Hou, Juanjuan,Li, Jiankun,Cheng, Jinkui,Wu, Shang,Zhan, Huiying,Zhang, Xinghui,Shi, Haixiong. "Anchored PdCl2 on fish scale: an efficient and recyclable catalyst for Suzuki coupling reaction in aqueous media". supporting information. . Retrieved 2020/12/25.
• 6、 Gong, Xue-Fang,Zhang, Ling-Yan,Zhang, Hui-Xin,Cui, Yu-Meng,Jin, Fen-Chun,Liu, Yu,Zhai, Yu-Feng,Li, Jin-Heng,Liu, Gui-Yan,Zeng, Yong-Fei. "Highly Active Heterogeneous PdCl2/MOF Catalyst for Suzuki–Miyaura Cross-Coupling Reactions of Aryl Chloride". . p. 1336 - 1341. Retrieved 2020/07/06.