4'-Fluoro-[1,1'-biphenyl]-3-amine

Base Information

• Chemical Name: 4'-Fluoro-[1,1'-biphenyl]-3-amine
• CAS No.: 10540-45-1
• Molecular Formula: C12H10 F N
• Molecular Weight: 187.217
• Hs Code.: 2921499090
• European Community (EC) Number: 673-262-2
• DSSTox Substance ID: DTXSID80382210
• Nikkaji Number: J582.147I
• Wikidata: Q82173522
• ChEMBL ID: CHEMBL4462502
• Mol file: 10540-45-1.mol

Synonyms:10540-45-1;3-(4-fluorophenyl)aniline;4'-Fluoro-[1,1'-biphenyl]-3-amine;4'-Fluoro-biphenyl-3-ylamine;3-amino-4'-fluorobiphenyl;4'-Fluorobiphenyl-3-ylamine;4'-fluorobiphenyl-3-amine;MFCD03424674;4'-fluoro[1,1'-biphenyl]-3-amine;4'-Fluoro-biphenyl-3-amine;SCHEMBL1013049;CHEMBL4462502;DTXSID80382210;ILWUJLSKEHCTSA-UHFFFAOYSA-N;AKOS000303097;2-Boc-amino-3,3-diphenylpropionicacid;FS-5390;SY039474;BB 0222467;CS-0206238;FT-0636733;EN300-1142109;3-Amino-4 inverted exclamation mark -fluorobiphenyl

Chemical Property of 4'-Fluoro-[1,1'-biphenyl]-3-amine

Chemical Property:

• Boiling Point: 338.6°Cat760mmHg
• PKA: 4.25±0.10(Predicted)
• Flash Point: 174.5°C
• PSA: 26.02000
• Density: 1.161g/cm³
• LogP: 3.65610
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 187.079727485
• Heavy Atom Count: 14
• Complexity: 175

Purity/Quality:

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

3-(4-Fluorophenyl)aniline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4'-Fluoro-[1,1'-biphenyl]-3-amine

There total 11 articles about 4'-Fluoro-[1,1'-biphenyl]-3-amine 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: 80.0%

1‐(4‐fluorophenyl)‐3‐nitrobenzene (10540-32-6) → 3‐(4‐fluorophenyl)aniline (10540-45-1)

Guidance literature:

With hydrazine hydrate; In ethanol; water; at 50 ℃; for 2h;

DOI:10.1021/acs.jmedchem.7b00707

Reference yield: 80.0%

→ 3‐(4‐fluorophenyl)aniline (10540-45-1)

Guidance literature:

With hydrazine hydrate; In ethanol; at 50 ℃; for 0.25h;

In ethanol; water;

Reference yield: 75.1%

4-fluoroboronic acid (1765-93-1) + m-Bromoaniline (591-19-5) → 3‐(4‐fluorophenyl)aniline (10540-45-1)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; sodium carbonate; In ethanol; water; toluene; Inert atmosphere; Reflux;

DOI:10.1021/acs.jmedchem.9b00736

upstream raw materials:

4-Fluoro-3'-acetamidobiphenyl

4-fluoroboronic acid

3-Iodoaniline

m-nitrobromobenzene

Downstream raw materials:

C₂₀H₁₄FN₃O

methyl 5-chloro-2-[({2-[(4'-fluorobiphenyl-3-yl)amino]-2-oxoethoxy}acetyl)amino]benzoate

5-chloro-2-[((2-[(4’-fluorobiphenyl-3-yl)amino]-2-oxoethoxy)acetyl)amino]benzoic acid sodium salt

Refernces

• 1、 Rohilla, Sandeep,Pant, Pradeep,Jain, Nidhi. "Pd/mannose promoted tandem cross coupling-nitro reduction: Expedient synthesis of aminobiphenyls and aminostilbenes". . p. 31311 - 31317. Retrieved 2015.
• 2、 Casati, Silvana,Ciuffreda, Pierangela,Ottria, Roberta,Yancheva, Denitsa,?melcerovi?, Andrija,Lazarevi?, Jelena,Zvezdanovi?, Jelena. "Lipid peroxidation inhibition study: A promising case of 1,3-di([1,1′-biphenyl]-3-yl)urea". . . Retrieved 2020.
• 3、 Chen, Tao,Li, Wen-Qin,Liu, Zheng,Jiang, Wen,Liu, Tian,Yang, Qing,Zhu, Xiao-Lei,Yang, Guang-Fu. "Discovery of Biphenyl-Sulfonamides as Novel β- N-Acetyl- d -Hexosaminidase Inhibitors via Structure-Based Virtual Screening". . p. 12039 - 12047. Retrieved 2021/10/20.