2-Fluoro-3,5-dimethoxyaniline

Base Information

• Chemical Name: 2-Fluoro-3,5-dimethoxyaniline
• CAS No.: 651734-61-1
• Molecular Formula: C8H10FNO2
• Molecular Weight: 171.16900
• Hs Code.: 2922190090
• DSSTox Substance ID: DTXSID40571502
• Wikidata: Q82459593
• Mol file: 651734-61-1.mol

Synonyms:651734-61-1;3,5-Dimethoxy-2-fluoroaniline;2-fluoro-3,5-dimethoxyaniline;2-fluoro-3,5-dimethoxy-aniline;MFCD20696760;SCHEMBL4406554;DTXSID40571502;ZHUWTVUANDGPRC-UHFFFAOYSA-N;BBB73461;2-Fluoro-3,5-dimethoxy-phenylamine;AKOS027254795;AS-59933;SY242052

Chemical Property of 2-Fluoro-3,5-dimethoxyaniline

Chemical Property:

• Boiling Point: 300.7±37.0 °C(Predicted)
• PKA: 2.36±0.10(Predicted)
• PSA: 44.48000
• Density: 1.189±0.06 g/cm3(Predicted)
• LogP: 2.00630
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 171.06955672
• Heavy Atom Count: 12
• Complexity: 145

Purity/Quality:

97% ^*data from raw suppliers

2-Fluoro-3,5-dimethoxyaniline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C(=C1)OC)F)N

Technology Process of 2-Fluoro-3,5-dimethoxyaniline

There total 4 articles about 2-Fluoro-3,5-dimethoxyaniline 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: 95.5%

(2-fluoro-3,5-dimethoxy-phenyl)-carbamic acid tert-butyl ester (651734-60-0) → 2-fluoro-3,5-dimethoxybenzenamine (651734-61-1)

Guidance literature:

(2-fluoro-3,5-dimethoxy-phenyl)-carbamic acid tert-butyl ester; With trifluoroacetic acid; at 20 ℃; for 0.5h;

With sodium hydrogencarbonate; In water; pH=8;

Reference yield:

N-(2-fluoro-3,5-dimethoxyphenyl)acetamide (1164251-80-2) → 2-fluoro-3,5-dimethoxybenzenamine (651734-61-1)

Guidance literature:

With hydrogenchloride; In methanol; for 4h; Reflux;

DOI:10.1016/j.bmcl.2009.03.125

Reference yield:

3.5-dimethoxyaniline (10272-07-8) → 2-fluoro-3,5-dimethoxybenzenamine (651734-61-1)

Guidance literature:

Multi-step reaction with 3 steps

1: toluene / 0.5 h / 45 °C / Sealed tube

2: Selectfluor / acetonitrile / 16 h / 0 - 25 °C

3: potassium hydroxide / ethanol; water / 2 h / 90 °C

With Selectfluor; potassium hydroxide; In ethanol; water; toluene; acetonitrile;

upstream raw materials:

(2-fluoro-3,5-dimethoxy-phenyl)-carbamic acid tert-butyl ester

N-(2-fluoro-3,5-dimethoxyphenyl)acetamide

3.5-dimethoxyaniline

N-(3,5-dimethoxy-phenyl)-acetamide