2'-Fluorobiphenyl-4-ylamine hydrochloride

Base Information

• Chemical Name: 2'-Fluorobiphenyl-4-ylamine hydrochloride
• CAS No.: 321-61-9
• Molecular Formula: C12H10 F N
• Molecular Weight: 223.6738432
• DSSTox Substance ID: DTXSID70698135
• Mol file: 321-61-9.mol

Synonyms:321-61-9;2'-fluorobiphenyl-4-ylamine hydrochloride;4-(2-fluorophenyl)aniline;hydrochloride;2'-Fluoro-biphenyl-4-amine HCl;2'-fluorobiphenyl-4-ylamine HCl;DTXSID70698135;AB92571;2'-Fluoro-biphenyl-4-amine hydrochloride;2'-Fluoro[1,1'-biphenyl]-4-amine--hydrogen chloride (1/1)

Chemical Property of 2'-Fluorobiphenyl-4-ylamine hydrochloride

Chemical Property:

• Boiling Point: 301.4±17.0 °C(Predicted)
• PKA: 4.30±0.10(Predicted)
• Density: 1.161±0.06 g/cm3(Predicted)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 223.0564052
• Heavy Atom Count: 15
• Complexity: 175

Purity/Quality:

98%min ^*data from raw suppliers

2'-Fluoro-[1,1'-biphenyl]-4-amine 97% ^*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=C(C=C2)N)F.Cl

Technology Process of 2'-Fluorobiphenyl-4-ylamine hydrochloride

There total 8 articles about 2'-Fluorobiphenyl-4-ylamine hydrochloride 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: 56.0%

o-fluorophenylboronic acid (1993-03-9) + 4-bromo-aniline (106-40-1) → 2'-fluoro-[1,1'-biphenyl]-4-amine (321-61-9)

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium carbonate; In 1,4-dioxane; water; at 90 ℃; Inert atmosphere;

DOI:10.1021/acs.jmedchem.0c00512

Reference yield:

o-fluorophenylboronic acid (1993-03-9) + p-aminoiodobenzene (540-37-4) → 2'-fluoro-[1,1'-biphenyl]-4-amine (321-61-9)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; sodium carbonate; In 1,4-dioxane; water; Inert atmosphere; Reflux;

DOI:10.1016/j.bmcl.2015.04.038

Reference yield:

2-fluoro-4'-nitro-biphenyl (394-89-8) → 2'-fluoro-[1,1'-biphenyl]-4-amine (321-61-9)

Guidance literature:

With iron; ammonium chloride; In ethanol; Reflux;

DOI:10.1021/acs.jafc.1c01642

upstream raw materials:

4-Acetyl-2'-fluor-biphenyl-oxim

o-fluorophenylboronic acid

4-bromo-aniline

p-aminoiodobenzene

Refernces

• 1、 Zuo, Zeping,Liu, Xiaocong,Qian, Xinying,Zeng, Ting,Sang, Na,Liu, Huan,Zhou, Yue,Tao, Lei,Zhou, Xia,Su, Na,Yu, Yamei,Chen, Qiang,Luo, Youfu,Zhao, Yinglan. "Bifunctional Naphtho[2,3- d][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects in Vitro and in Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production". supporting information. p. 7633 - 7652. Retrieved 2020/08/21.
• 2、 Mou, Jianfeng,Park, Ann,Cai, Yu,Yuan, Junying,Yuan, Chengye. "Structure-activity relationship study of E6 as a novel necroptosis inducer". supporting information. p. 3057 - 3061. Retrieved 2015/06/22.