N-[2-(4-Fluoro-3-methoxyphenyl)ethyl]acetamide

Base Information

• Chemical Name: N-[2-(4-Fluoro-3-methoxyphenyl)ethyl]acetamide
• CAS No.: 128495-49-8
• Molecular Formula: C₁₁H₁₄FNO₂
• Molecular Weight: 211.236
• ChEMBL ID: CHEMBL4546055
• DSSTox Substance ID: DTXSID801249429
• Mol file: 128495-49-8.mol

Synonyms:128495-49-8;N-[2-(4-Fluoro-3-methoxyphenyl)ethyl]acetamide;CHEMBL4546055;DTXSID801249429

Chemical Property of N-[2-(4-Fluoro-3-methoxyphenyl)ethyl]acetamide

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 211.10085685
• Heavy Atom Count: 15
• Complexity: 211

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NCCC1=CC(=C(C=C1)F)OC

Technology Process of N-[2-(4-Fluoro-3-methoxyphenyl)ethyl]acetamide

There total 9 articles about N-[2-(4-Fluoro-3-methoxyphenyl)ethyl]acetamide 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: 88.0%

2-(4-fluoro-3-methoxyphenyl)ethan-1-amine (128495-48-7) + acetyl chloride (75-36-5) → N-acetyl-2-(4-fluoro-3-methoxyphenyl)ethylamine (128495-49-8)

Guidance literature:

With triethylamine; In diethyl ether; for 1h; Ambient temperature;

DOI:10.1021/jm00171a014

Reference yield: 57.0%

2-(4-fluoro-3-methoxyphenyl)acetonitrile (850565-37-6) + acetic anhydride (108-24-7) → N-acetyl-2-(4-fluoro-3-methoxyphenyl)ethylamine (128495-49-8)

Guidance literature:

With hydrogen; In tetrahydrofuran; at 50 ℃; for 16h; under 3040.2 Torr;

DOI:10.1039/c8md00604k

Reference yield:

4-fluoro-3-methoxybenzaldehyde (128495-46-5) → N-acetyl-2-(4-fluoro-3-methoxyphenyl)ethylamine (128495-49-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 84 percent / Na₂CO₃, methylamine hydrochloride / ethanol / 72 h / Ambient temperature

2: 54 percent / LiAlH₄ / tetrahydrofuran / 12 h / Ambient temperature

3: 88 percent / triethylamine / diethyl ether / 1 h / Ambient temperature

With lithium aluminium tetrahydride; methylamine hydrochloride; sodium carbonate; triethylamine; In tetrahydrofuran; diethyl ether; ethanol;

DOI:10.1021/jm00171a014

upstream raw materials:

2-(4-fluoro-3-methoxyphenyl)ethan-1-amine

acetyl chloride

1-fluoro-2-methoxy-4-methylbenzene

2-fluoro-5-methylphenol

Downstream raw materials:

N-ethyl-2-(4-fluoro-3-methoxyphenyl)ethylamine

N-ethyl-N-(2-phenylethyl)-2-(4-fluoro-3-methoxyphenyl)ethylamine

N-ethyl-N-(phenylacetyl)-2-(4-fluoro-3-methoxyphenyl)ethylamine

N-ethyl-N-(2-phenylethyl)-2-(4-fluoro-3-hydroxyphenyl)ethylamine hydrobromide