3'-Chloro-4'-fluoro-2-biphenylaMine

Base Information

• Chemical Name: 3'-Chloro-4'-fluoro-2-biphenylaMine
• CAS No.: 577954-86-0
• Molecular Formula: C₁₂H₉ClFN
• Molecular Weight: 221.662
• DSSTox Substance ID: DTXSID00469254
• Mol file: 577954-86-0.mol

Synonyms:577954-86-0;3'-Chloro-4'-fluoro-2-biphenylaMine;[1,1'-Biphenyl]-2-amine, 3'-chloro-4'-fluoro-;3'-chloro-4'-fluoro-[1,1'-biphenyl]-2-amine;2-(3-CHLORO-4-FLUOROPHENYL)ANILINE;3'-chloro-4'-fluoro-2-aminobiphenyl;SCHEMBL397260;DTXSID00469254;QBVDQOUVCUSMQZ-UHFFFAOYSA-N;AKOS028109833;CS-0135581;E81676

Chemical Property of 3'-Chloro-4'-fluoro-2-biphenylaMine

Chemical Property:

• Boiling Point: 337.8±27.0 °C(Predicted)
• PKA: 2.71±0.10(Predicted)
• PSA: 26.02000
• Density: 1.280±0.06 g/cm3(Predicted)
• LogP: 4.30950
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 221.0407551
• Heavy Atom Count: 15
• Complexity: 212

Purity/Quality:

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

3'-Chloro-4'-fluoro-[1,1'-biphenyl]-2-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)F)Cl)N

Technology Process of 3'-Chloro-4'-fluoro-2-biphenylaMine

There total 3 articles about 3'-Chloro-4'-fluoro-2-biphenylaMine 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:

2-nitrophenyl bromide (577-19-5) → 3'-chloro-4'-fluoro-2-aminobiphenyl (577954-86-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate / toluene / 0.17 h / 20 °C / Inert atmosphere

1.2: Inert atmosphere; Reflux

2.1: ammonium chloride; iron / water; isopropyl alcohol / Reflux; Inert atmosphere

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; iron; potassium carbonate; ammonium chloride; In water; isopropyl alcohol; toluene; 1.1: |Suzuki Coupling / 1.2: |Suzuki Coupling;

DOI:10.1021/acs.jmedchem.5b00659

Reference yield:

C12H7ClFNO2 → 3'-chloro-4'-fluoro-2-aminobiphenyl (577954-86-0)

Guidance literature:

With iron; ammonium chloride; In water; isopropyl alcohol; Reflux; Inert atmosphere;

DOI:10.1021/acs.jmedchem.5b00659

Reference yield:

3-chloro-4-fluorophenylboronic acid (144432-85-9) → 3'-chloro-4'-fluoro-2-aminobiphenyl (577954-86-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate / toluene / 0.17 h / 20 °C / Inert atmosphere

1.2: Inert atmosphere; Reflux

2.1: ammonium chloride; iron / water; isopropyl alcohol / Reflux; Inert atmosphere

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; iron; potassium carbonate; ammonium chloride; In water; isopropyl alcohol; toluene; 1.1: |Suzuki Coupling / 1.2: |Suzuki Coupling;

DOI:10.1021/acs.jmedchem.5b00659

upstream raw materials:

2-nitrophenyl bromide

3-chloro-4-fluorophenylboronic acid

Downstream raw materials:

3-fluoromethyl-1-methyl-1H-pyrazole-4-carboxylic acid (3'-chloro-4'-fluorobiphenyl-2-yl)-amide

1,3-dimethyl-1H-pyrazole-4-carboxylic acid (3'-chloro-4'-fluorobiphenyl-2-yl)-amide