4-(2-Aminoethyl)-3-fluoroaniline

Base Information

• Chemical Name: 4-(2-Aminoethyl)-3-fluoroaniline
• CAS No.: 180146-79-6
• Molecular Formula: C8H11 F N2
• Molecular Weight: 154.1847432
• DSSTox Substance ID: DTXSID10595210
• Wikidata: Q82490173
• Mol file: 180146-79-6.mol

Synonyms:4-(2-aminoethyl)-3-fluoroaniline;180146-79-6;Benzeneethanamine, 4-amino-2-fluoro- (9CI);SCHEMBL7239671;DTXSID10595210;FBVPFKKDRHJLNJ-UHFFFAOYSA-N;DB-274020;BENZENEETHANAMINE, 4-AMINO-2-FLUORO-

Chemical Property of 4-(2-Aminoethyl)-3-fluoroaniline

Chemical Property:

• PSA: 52.04000
• LogP: 2.19060
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 154.09062652
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

99%+ ^*data from raw suppliers

4-(2-Aminoethyl)-3-fluoroaniline 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1N)F)CCN

Technology Process of 4-(2-Aminoethyl)-3-fluoroaniline

There total 2 articles about 4-(2-Aminoethyl)-3-fluoroaniline 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-(4-amino-2-fluorophenyl)acetonitrile (180146-78-5) → 4-(2-aminoethyl)-3-fluoroaniline (180146-79-6)

Guidance literature:

With sodium hydroxide; sulfuric acid; In diethyl ether; water;

Reference yield:

→ 4-(2-aminoethyl)-3-fluoroaniline (180146-79-6)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 16h; under 2585.81 Torr;

Reference yield: 39.0%

4-(2-aminoethyl)-3-fluoroaniline (180146-79-6) + di-tert-butyl dicarbonate (24424-99-5) → N-(2-(4-amino-2-fluorophenyl)ethyl)carbamic acid t-butyl ester (180146-80-9)

Guidance literature:

In dichloromethane;

upstream raw materials:

2-(4-amino-2-fluorophenyl)acetonitrile

Downstream raw materials:

N-(2-(4-amino-2-fluorophenyl)ethyl)carbamic acid t-butyl ester