4-Fluoro-N-isopropylaniline

Base Information

• Chemical Name: 4-Fluoro-N-isopropylaniline
• CAS No.: 70441-63-3
• Molecular Formula: C9H12FN
• Molecular Weight: 153.199
• Hs Code.: 2921420090
• UNII: 6YD948689P
• DSSTox Substance ID: DTXSID6074675
• Nikkaji Number: J1.089.601K
• Wikidata: Q72473836
• Mol file: 70441-63-3.mol

Synonyms:4-FLUORO-N-ISOPROPYLANILINE;70441-63-3;4-fluoro-N-propan-2-ylaniline;Benzenamine, 4-fluoro-N-(1-methylethyl)-;4-Fluoro-N-(1-methylethyl)benzenamine;4-fluoro-N-(propan-2-yl)aniline;N-Isopropyl-4-fluoroaniline;FI-anilin;N-(4-Fluorophenyl)isopropylamine;N-(4-Fluorophenyl)-N-isopropylamine;Fluoro-N-isopropylaniline;4fluoro-N-isopropylaniline;4-fluro-N-isopropylaniline;4-fluoro-N-isopropyl-aniline;SCHEMBL177221;(4-Fluorophenyl)-isopropylamine;DTXSID6074675;AMY6735;(4-fluoro-phenyl)-isopropyl-amine;(4-Fluoro-phenyl)-isopropyl amine;MFCD00270760;N-ISOPROPYL-4-FLUORO-ANILINE;AKOS000239165;6YD948689P;AL-0022;DS-1753;SB76155;CS-0199464;FT-0668735;EN300-62033;EC 448-100-7;A866610;Z266481896

Chemical Property of 4-Fluoro-N-isopropylaniline

Chemical Property:

• Vapor Pressure: 0.161mmHg at 25°C
• Refractive Index: 1.527
• Boiling Point: 213.9 °C at 760mmHg
• PKA: 5.91±0.32(Predicted)
• Flash Point: 83.1 °C
• PSA: 12.03000
• Density: 1.045g/cm³
• LogP: 2.71900
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 153.095377549
• Heavy Atom Count: 11
• Complexity: 106

Purity/Quality:

98% ^*data from raw suppliers

4-Fluoro-N-isopropylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NC1=CC=C(C=C1)F
• Uses: 4-Fluoro-N-isopropylaniline is an intermediate used in the synthesis of Flufenacet, a herbicide.

Technology Process of 4-Fluoro-N-isopropylaniline

There total 11 articles about 4-Fluoro-N-isopropylaniline 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: 99.2%

4-Fluoronitrobenzene (350-46-9,178603-76-4) + acetone (67-64-1) → 4-fluoro-N-isopropyl-aniline (70441-63-3)

Guidance literature:

With chloroplatinic acid; sodium tetrahydroborate; hydrogen; titanium(IV) oxide; In water; at 70 ℃; Temperature; Large scale;

Reference yield: 98.0%

4-Fluoronitrobenzene (350-46-9,178603-76-4) + 2,2-dimethoxy-propane (77-76-9) → 4-fluoro-N-isopropyl-aniline (70441-63-3)

Guidance literature:

With 3 % platinum on carbon; hydrogen; toluene-4-sulfonic acid; In toluene; at 70 - 80 ℃; for 4h; under 3750.38 - 15001.5 Torr; Reagent/catalyst; Temperature; Pressure; Solvent; Autoclave; Large scale;

Reference yield: 97.0%

4-Fluoronitrobenzene (350-46-9,178603-76-4) → 4-fluoro-N-isopropyl-aniline (70441-63-3)

Guidance literature:

Pt on charcoal; In water; acetone; toluene;

upstream raw materials:

(4-fluorophenyl)lithium

N-isopropyl-O-(trimethylsilyl)hydroxylamine

4-Fluoronitrobenzene

4-fluoroaniline

Downstream raw materials:

4-(5-(((4-fluorophenyl)(isopropyl)amino)methyl)thiophen-2-yl)benzaldehyde

N-(4-fluorophenyl)-2-hydroxy-N-(1-methylethyl)acetamide

flufenacet

(E)-tert-butyl 4-(4'-(((4-fluorophenyl)(isopropyl)amino)-methyl)biphenyl-4-yl)-1-hydroxy-2-(hydroxymethyl)but-3-en-2-ylcarbamate

Refernces

• 1、 -. "Preparation method of chemical intermediate N-isopropyl p-fluoroaniline". Paragraph 0026-0067. . Retrieved 2020/05/08.
• 2、 Sharma, Rakesh Kumar,Dutta, Sriparna,Sharma, Shivani. "Nickel(II) complex covalently anchored on core shell structured SiO2@Fe3O4 nanoparticles: A robust and magnetically retrievable catalyst for direct one-pot reductive amination of ketones". . p. 2089 - 2101. Retrieved 2016/03/19.