4-Fluoro-2-methylaniline

Base Information

• Chemical Name: 4-Fluoro-2-methylaniline
• CAS No.: 452-71-1
• Molecular Formula: C7H8FN
• Molecular Weight: 125.146
• Hs Code.: 29214300
• European Community (EC) Number: 207-208-2
• NSC Number: 88300
• UNII: P7D3BF9SJM
• DSSTox Substance ID: DTXSID6060008
• Nikkaji Number: J149.713H
• Wikidata: Q72474338
• Mol file: 452-71-1.mol

Synonyms:4-Fluoro-2-methylaniline;452-71-1;2-Amino-5-fluorotoluene;Benzenamine, 4-fluoro-2-methyl-;4-Fluoro-2-methylbenzenamine;6-Amino-3-fluorotoluene;o-Toluidine, 4-fluoro-;4-Fluorotoluidine;2-Methyl-4-fluoroaniline;4-Fluoro-o-toluidine;3-Fluoro-6-aminotoluene;4-fluoro-2-methyl-aniline;EINECS 207-208-2;MFCD00007832;NSC 88300;P7D3BF9SJM;BRN 1931798;4-FLUORO-2-METHYLBENZENEAMINE;NSC-88300;4-12-00-01786 (Beilstein Handbook Reference);4-fluoro-2-methylphenylamine;4-Fluoro-2-methyl-phenylamine;NSC88300;4-Fluor-o-toluidin;4-fluoro-2-toluidine;4-fluor-2-methylaniline;UNII-P7D3BF9SJM;4-flouro-2-methylaniline;4-fluoro-2-methyl aniline;NCIOpen2_001405;SCHEMBL102467;4-fluoro-2-methyl-benzenamine;(4-fluoro-2-methylphenyl)amine;DTXSID6060008;4-Fluoro-2-methylaniline, 96%;BCP24546;STL163420;AKOS000120538;AC-3690;AM61546;CS-W011173;PS-9200;LS-28330;A1708;F0398;FT-0618546;EN300-20973;W-106149

Chemical Property of 4-Fluoro-2-methylaniline

Chemical Property:

• Appearance/Colour: colorless to light yellow liquid
• Vapor Pressure: 0.231mmHg at 25°C
• Melting Point: 14oC
• Refractive Index: n20/D 1.537(lit.)
• Boiling Point: 206.9 °C at 760 mmHg
• PKA: 4.51±0.10(Predicted)
• Flash Point: 87.8 °C
• PSA: 26.02000
• Density: 1.115 g/cm³
• LogP: 2.29750
• Storage Temp.: Room temperature.
• 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:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xn, T, Xi
• Hazard Codes: Xn,T,Xi
• Statements: 20/21/22-36/37/38-23/24/25
• Safety Statements: 26-36/37/39-45-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)F)N
• Uses: 4-Fluoro-2-methylaniline was used in the synthesis of 4-fluoro-N-[(E)-{7-methoxy-2-[4-(methylsulfanyl)phenyl]-1-benzofuran-5-yl}methylidene]-2-methylaniline.

Technology Process of 4-Fluoro-2-methylaniline

There total 11 articles about 4-Fluoro-2-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: 100.0%

5-Fluoro-2-nitrotoluene (446-33-3) → 4-fluor-2-methylaniline (452-71-1)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 2h;

DOI:10.1016/j.ejmech.2015.09.008

Reference yield: 96.0%

N-(4-fluoro-2-methylphenyl)-2-methylpropane-2-sulfinamide (1338209-86-1) → 4-fluor-2-methylaniline (452-71-1)

Guidance literature:

N-(4-fluoro-2-methylphenyl)-2-methylpropane-2-sulfinamide; With hydrogenchloride; In 1,4-dioxane; at 20 ℃; for 0.25h; Inert atmosphere;

With sodium hydrogencarbonate; In 1,4-dioxane; water; Inert atmosphere;

DOI:10.1016/j.tetlet.2011.08.075

Reference yield: 81.0%

1-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1H-pyrrole → 4-fluor-2-methylaniline (452-71-1)

Guidance literature:

With hydrogenchloride; In ethanol; at 120 ℃; for 0.25h; Microwave irradiation;

DOI:10.1021/jo401778e

upstream raw materials:

1-(4-fluoro-2-methyl-phenyl)-ethanone oxime

5-Fluoro-2-nitrotoluene

Methyl fluoride

4-fluoroaniline

Downstream raw materials:

4-fluoro-2-methyl-5-nitroaniline

2-chloro-N-(4-fluoro-2-methylphenyl)acetamide

N-trimethylsilyl-4-fluoro-o-toluidine

2-bromo-N-(2-methyl-4-fluorophenyl)acetamide

Refernces

• 1、 Teo, Theodosia,Yang, Yuchao,Yu, Mingfeng,Basnet, Sunita K.C.,Gillam, Todd,Hou, Jinqiang,Schmid, Raffaella M.,Kumarasiri, Malika,Diab, Sarah,Albrecht, Hugo,Sykes, Matthew J.,Wang, Shudong. "An integrated approach for discovery of highly potent and selective Mnk inhibitors: Screening, synthesis and SAR analysis". . p. 539 - 550. Retrieved 2015/10/12.
• 2、 Prakash, Anjanappa,Dibakar, Mullick,Selvakumar, Kumaravel,Ruckmani, Kandasamy,Sivakumar, Manickam. "Efficient indoles and anilines syntheses employing tert-butyl sulfinamide as ammonia surrogate". supporting information; experimental part. p. 5625 - 5628. Retrieved 2011/11/06.