4'-Trifluoromethoxy-biphenyl-3-YL amine

Base Information

• Chemical Name: 4'-Trifluoromethoxy-biphenyl-3-YL amine
• CAS No.: 436150-22-0
• Molecular Formula: C₁₃H₁₀F₃NO
• Molecular Weight: 253.224
• DSSTox Substance ID: DTXSID80375324
• Wikidata: Q82163855
• Mol file: 436150-22-0.mol

Synonyms:436150-22-0;4'-TRIFLUOROMETHOXY-BIPHENYL-3-YL AMINE;3-[4-(trifluoromethoxy)phenyl]aniline;4'-(TRIFLUOROMETHOXY)-[1,1'-BIPHENYL]-3-AMINE;4'-Trifluoromethoxy-biphenyl-3-ylamine;4'-trifluoromethoxybiphenyl-3-ylamine;SCHEMBL1241524;DTXSID80375324;DFIFGSBRYALIMR-UHFFFAOYSA-N;AKOS005820958;SB81996;4'-(Trifluoromethoxy)-biphenyl-3-amine;A1-33179

Chemical Property of 4'-Trifluoromethoxy-biphenyl-3-YL amine

Chemical Property:

• PSA: 35.25000
• LogP: 4.41560
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 253.07144843
• Heavy Atom Count: 18
• Complexity: 262

Purity/Quality:

98% ^*data from raw suppliers

4'-TRIFLUOROMETHOXY-BIPHENYL-3-YL AMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 4'-Trifluoromethoxy-biphenyl-3-YL amine

There total 2 articles about 4'-Trifluoromethoxy-biphenyl-3-YL 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: 75.1%

m-Bromoaniline (591-19-5) + 4-trifluoromethoxyphenylboronic acid (139301-27-2) → 4'-trifluoromethoxy-1,1'-biphenyl-3-amine (436150-22-0)

Guidance literature:

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

DOI:10.1021/acs.jmedchem.9b00736

Reference yield: 55.0%

C16H15F3O → 4'-trifluoromethoxy-1,1'-biphenyl-3-amine (436150-22-0)

Guidance literature:

With sodium azide; oxygen; trifluoroacetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; at 40 ℃; for 4h; Sealed tube;

DOI:10.1038/s41557-018-0156-y

Reference yield: 36.2%

4'-trifluoromethoxy-1,1'-biphenyl-3-amine (436150-22-0) + 3-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-7-yl)propanoic acid (1268335-33-6) → 3-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-7-yl)-N-(4'-trifluoromethoxy-1,1'-biphenyl-3-yl)propanamide

Guidance literature:

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃;

DOI:10.1021/acs.jmedchem.9b00736

upstream raw materials:

m-Bromoaniline

4-trifluoromethoxyphenylboronic acid

Refernces

• 1、 -. "Aromatic amine compound synthesis method". Paragraph 0185-0187. . Retrieved 2019/01/23.