2-[2-Fluoro-4-(trifluoromethyl)phenyl]ethanamine

Base Information

• Chemical Name: 2-[2-Fluoro-4-(trifluoromethyl)phenyl]ethanamine
• CAS No.: 771583-82-5
• Molecular Formula: C9H9F4N
• Molecular Weight: 207.171
• DSSTox Substance ID: DTXSID801254101
• Mol file: 771583-82-5.mol

Synonyms:2-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine;771583-82-5;SCHEMBL5426147;DTXSID801254101;2-Fluoro-4-(trifluoromethyl)benzeneethanamine;EN300-1928691;2-[2-fluoro-4-(trifluoromethyl)phenyl]ethan-1-amine

Chemical Property of 2-[2-Fluoro-4-(trifluoromethyl)phenyl]ethanamine

Chemical Property:

• PSA: 26.02000
• LogP: 3.04600
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 207.06711194
• Heavy Atom Count: 14
• Complexity: 180

Purity/Quality:

2-(2-fluoro-4-(trifluoromethyl)phenyl)ethanamine 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)F)CCN

Technology Process of 2-[2-Fluoro-4-(trifluoromethyl)phenyl]ethanamine

There total 2 articles about 2-[2-Fluoro-4-(trifluoromethyl)phenyl]ethanamine 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: 31.0%

[2-fluoro-4-(trifluoromethyl)phenyl]acetonitrile (239087-11-7) → 2-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine (771583-82-5)

Guidance literature:

With sodium (trifluoroacetoxy)borohydride; In tetrahydrofuran; at 20 ℃; for 20h;

Reference yield:

→ 2-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine (771583-82-5)

Guidance literature:

With borane-THF; In tetrahydrofuran; for 3.5h; Reflux;

Reference yield:

2-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine (771583-82-5) + trifluoroacetic anhydride (407-25-0) → 2,2, 2-trifluoro-N-[2-(2-fluoro-4-trifluoromethyl-phenyl)-ethyl]-acetamide (625127-12-0)

Guidance literature:

at 0 ℃; for 0.5h;

upstream raw materials:

[2-fluoro-4-(trifluoromethyl)phenyl]acetonitrile

Downstream raw materials:

2,2, 2-trifluoro-N-[2-(2-fluoro-4-trifluoromethyl-phenyl)-ethyl]-acetamide

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