2-Fluoro-4-methylaniline

Base Information

• Chemical Name: 2-Fluoro-4-methylaniline
• CAS No.: 452-80-2
• Molecular Formula: C7H8FN
• Molecular Weight: 125.146
• Hs Code.: 29214300
• NSC Number: 147489
• UNII: Z6EGC62G32
• DSSTox Substance ID: DTXSID40196431
• Nikkaji Number: J85.092F
• Wikidata: Q72474351
• Mol file: 452-80-2.mol

Synonyms:2-fluoro-4-methylaniline

Chemical Property of 2-Fluoro-4-methylaniline

Chemical Property:

• Appearance/Colour: clear orange to orange-brown liquid
• Vapor Pressure: 0.239mmHg at 25°C
• Melting Point: 3 °C
• Refractive Index: n20/D 1.533(lit.)
• Boiling Point: 196.5 °C at 760 mmHg
• PKA: 3?+-.0.10(Predicted)
• Flash Point: 79.4 °C
• PSA: 26.02000
• Density: 1.115 g/cm³
• LogP: 2.29750
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Water Solubility.: Not miscible in water.
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 125.064077422
• Heavy Atom Count: 9
• Complexity: 94.9

Purity/Quality:

97% ^*data from raw suppliers

2-Fluoro-4-methylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T, Xi
• Hazard Codes: T,Xi
• Statements: 23/24/25-36/37/38
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)N)F
• Uses: 2-Fluoro-4-methylaniline is used in the preparation of 6-chloro-5-fluoroindole via Leimgruber-Batcho reaction. It is also used in the preparation of an (S)-amino alcohol, 2-amino-3-(2-fluoro-4-methylphenyl)-propan-1-ol. 2-Fluoro-4-methylaniline was used in the preparation of 6-chloro-5-fluoroindole via Leimgruber-Batcho reaction. It was also used in the preparation of an (S)-amino alcohol, 2-amino-3-(2-fluoro-4-methylphenyl)-propan-1-ol.

Technology Process of 2-Fluoro-4-methylaniline

There total 10 articles about 2-Fluoro-4-methylaniline 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:

p-toluidine (106-49-0,12221-03-3) → 3,5-difluoro-4-methylaniline (878285-13-3) + 2,5-difluoro-4-methylaniline (878285-14-4) + 2-fluoro-4-methylaniline (452-80-2) + 3-fluoro-4-methyl-phenylamine (452-77-7)

Guidance literature:

With trifluorormethanesulfonic acid; fluorine; at 20 ℃; Title compound not separated from byproducts;

DOI:10.1016/j.jfluchem.2005.02.013

Reference yield:

2-fluoro-4-methyl-1-nitrobenzene (446-34-4) → 2-fluoro-4-methylaniline (452-80-2)

Guidance literature:

With hydrogenchloride; tin(ll) chloride;

DOI:10.1021/ja01510a021

Reference yield:

1,2-di(p-tolyl)diazene (501-60-0,21650-54-4,30926-02-4) → 2-fluoro-4-methylaniline (452-80-2)

Guidance literature:

1,2-di(p-tolyl)diazene; With silver nitrate; N-fluorobis(benzenesulfon)imide; palladium dichloride; In ethyl acetate; at 55 ℃; for 12h; Sealed tube;

With sodium tetrahydroborate; copper(l) chloride; In ethanol; at 20 ℃; for 0.166667h;

upstream raw materials:

2-fluoro-4-methyl-1-nitrobenzene

p-toluidine

m-Fluorotoluene

3-phenoxybenzyl bromide

Downstream raw materials:

3-methyl-5-nitro-3H-imidazole-4-carboxylic acid (2-fluoro-4-methyl-phenyl)-amide

C₁₀H₁₂FN

C₁₁H₁₂FNO₃

C₉H₈FNO₃