2-Ethoxy-4-fluoroaniline

Base Information

• Chemical Name: 2-Ethoxy-4-fluoroaniline
• CAS No.: 178993-28-7
• Molecular Formula: C8H10 F N O
• Molecular Weight: 155.172
• European Community (EC) Number: 875-176-2
• DSSTox Substance ID: DTXSID40395700
• Wikidata: Q82195913
• Mol file: 178993-28-7.mol

Synonyms:2-ethoxy-4-fluoroaniline;2-Ethoxy-4-fluoro-phenylamine;178993-28-7;Benzenamine, 2-ethoxy-4-fluoro- (9CI);SCHEMBL5989887;DTXSID40395700;MFCD07801192;AKOS000141255;BS-21852;BB 0219901;CS-0208388;EN300-43682;Z240869730

Chemical Property of 2-Ethoxy-4-fluoroaniline

Chemical Property:

• Boiling Point: 226.1±20.0 °C(Predicted)
• PKA: 4.54±0.10(Predicted)
• PSA: 35.25000
• Density: 1.137±0.06 g/cm3(Predicted)
• LogP: 2.38780
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 155.074642105
• Heavy Atom Count: 11
• Complexity: 121

Purity/Quality:

98%min ^*data from raw suppliers

2-Ethoxy-4-fluoroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=CC(=C1)F)N

Technology Process of 2-Ethoxy-4-fluoroaniline

There total 2 articles about 2-Ethoxy-4-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: 92.0%

5-fluoro-2-nitrophenyl ethyl ether (28987-44-2) → 2-ethoxy-4-fluorobenzenamine (178993-28-7)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃;

Reference yield:

5-fluoro-2-nitrophenol (446-36-6) → 2-ethoxy-4-fluorobenzenamine (178993-28-7)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 37 °C

2: palladium 10% on activated carbon; hydrogen / methanol / 20 °C

With palladium 10% on activated carbon; hydrogen; potassium carbonate; In methanol; N,N-dimethyl-formamide;

Reference yield: 93.0%

4-Chloro-2-methylthiopyrimidine (49844-90-8) + 2-ethoxy-4-fluorobenzenamine (178993-28-7) → N-(2-ethoxy-4-fluorophenyl)-2-(methylthio)pyrimidin-4-amine

Guidance literature:

With hydrogenchloride; In water; isopropyl alcohol; at 80 ℃; for 4h;

upstream raw materials:

5-fluoro-2-nitrophenyl ethyl ether

5-fluoro-2-nitrophenol