3',5'-Bis(trifluoromethyl)-[1,1'-biphenyl]-4-amine

Base Information

• Chemical Name: 3',5'-Bis(trifluoromethyl)-[1,1'-biphenyl]-4-amine
• CAS No.: 444143-45-7
• Molecular Formula: C14H9F6N
• Molecular Weight: 305.22
• Hs Code.: 2921499090
• European Community (EC) Number: 620-937-4
• DSSTox Substance ID: DTXSID80382270
• Nikkaji Number: J1.704.553I
• Wikidata: Q82173583
• Mol file: 444143-45-7.mol

Synonyms:444143-45-7;3',5'-Bis(trifluoromethyl)-[1,1'-biphenyl]-4-amine;4-Amino-3',5'-bis(trifluoromethyl)biphenyl;4-[3,5-bis(trifluoromethyl)phenyl]aniline;3',5'-Bis(trifluoromethyl)biphenyl-4-amine;C14H9F6N;4-[3,5-(Bis(trifluoromethyl)phenyl]aniline;3',5'-Bis(trifluoromethyl)[1,1'-biphenyl]-4-amine;SCHEMBL4092202;DTXSID80382270;MGGUROGTKGUOGP-UHFFFAOYSA-N;MFCD05154989;AKOS004117139;CS-0206653;FT-0644686;4-Amino-3',5'-bis-(trifluoromethyl)biphenyl;A826569;3',5'-BIS(TRIFLUOROMETHYL)(1,1'-BIPHENYL)-4-YLAMINE;3 inverted exclamation marka,5 inverted exclamation marka-Bis(trifluoromethyl)[1,1 inverted exclamation marka-biphenyl]-4-amine

Chemical Property of 3',5'-Bis(trifluoromethyl)-[1,1'-biphenyl]-4-amine

Chemical Property:

• Boiling Point: 305.1oC at 760 mmHg
• Flash Point: 137.4oC
• PSA: 26.02000
• Density: 1.362g/cm3
• LogP: 5.55460
• Storage Temp.: 2-8°C
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 305.06391826
• Heavy Atom Count: 21
• Complexity: 320

Purity/Quality:

97% ^*data from raw suppliers

4-Amino-3'',5''-bis(trifluoromethyl)biphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N

Technology Process of 3',5'-Bis(trifluoromethyl)-[1,1'-biphenyl]-4-amine

There total 8 articles about 3',5'-Bis(trifluoromethyl)-[1,1'-biphenyl]-4-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: 94.0%

(4-aminophenyl)boronic acid hydrochloride (80460-73-7) + 3,6-bis(trifluoromethyl)bromobenzene (328-70-1) → 3′,5′-bis(trifluoromethyl)-[1,1′-biphenyl]-4-amine (444143-45-7)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In tetrahydrofuran; at 75 ℃; for 12h; Reflux; Inert atmosphere;

Reference yield: 92.0%

3,5-bis-trifluromethylphenylboronic acid (73852-19-4) + 4-bromo-aniline (106-40-1) → 3′,5′-bis(trifluoromethyl)-[1,1′-biphenyl]-4-amine (444143-45-7)

Guidance literature:

With palladium diacetate; potassium carbonate; tris-(o-tolyl)phosphine; In ethanol; water; toluene; at 80 ℃; for 1.5h; Inert atmosphere; Schlenk technique;

DOI:10.1002/cmdc.201800388

Reference yield: 69.0%

3,5-di(trifluoromethyl)-4'-nitro-1,1'-biphenyl → 3′,5′-bis(trifluoromethyl)-[1,1′-biphenyl]-4-amine (444143-45-7)

Guidance literature:

With tin(ll) chloride; In ethanol; ethyl acetate; Heating;

DOI:10.1016/S1383-5718(01)00345-X

upstream raw materials:

3,6-bis(trifluoromethyl)bromobenzene

para-nitrophenyl bromide

(4-aminophenyl)boronic acid hydrochloride

3,5-bis-trifluromethylphenylboronic acid

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