4-Fluoro-2,6-dimethylaniline

Base Information

• Chemical Name: 4-Fluoro-2,6-dimethylaniline
• CAS No.: 392-70-1
• Molecular Formula: C8H10 F N
• Molecular Weight: 139.173
• Hs Code.: 2921430090
• European Community (EC) Number: 642-825-4
• DSSTox Substance ID: DTXSID00362791
• Wikidata: Q82146208
• Mol file: 392-70-1.mol

Synonyms:4-fluoro-2,6-dimethylaniline;392-70-1;4-fluoro-2,6-dimethylphenylamine;4-fluoro-2,6-dimethyl-aniline;2,6-Dimethyl-4-fluoroaniline;MFCD03792669;SCHEMBL2032766;DTXSID00362791;4-fluoro-2,6-dimethyl-phenylamine;BBL103987;STL557797;AKOS006222697;AM82812;MS-20738;4-fluoro-2,6-dimethylaniline, AldrichCPR;CS-0314054;F83645;A824502;F0001-2434

Chemical Property of 4-Fluoro-2,6-dimethylaniline

Chemical Property:

• Vapor Pressure: 0.0909mmHg at 25°C
• Refractive Index: 1.5345
• Boiling Point: 224.5°Cat760mmHg
• PKA: 4.36±0.10(Predicted)
• Flash Point: 104.6°C
• PSA: 26.02000
• Density: 1.083g/cm³
• LogP: 2.60590
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 139.079727485
• Heavy Atom Count: 10
• Complexity: 104

Purity/Quality:

98%Min ^*data from raw suppliers

2,6-Dimethyl-4-fluoroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1N)C)F
• Uses: 4-Fluoro-2,6-dimethylaniline is used as an intermediate.

Technology Process of 4-Fluoro-2,6-dimethylaniline

There total 7 articles about 4-Fluoro-2,6-dimethylaniline 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: 99.0%

2,6-dimethyl-4-fluoro-1-nitro-benzene (315-12-8) → 2,6-dimethyl-4-fluoroaniline (392-70-1)

Guidance literature:

With sodium dithionite; In methanol; water; at 90 ℃; for 3h; Sealed tube;

Reference yield:

3,5-dimethyl-4-nitrobenzoic acid (3095-38-3) → 2,6-dimethyl-4-fluoroaniline (392-70-1)

Guidance literature:

Multi-step reaction with 4 steps

1: (i) PCl₅, (ii) aq. NH₃

2: aq. NaOH, Br₂

3: (i) aq. HCl, NaNO₂, (ii) HPF₆

4: H₂ / Pd-C

With sodium hydroxide; hydrogen; bromine; palladium on activated charcoal;

DOI:10.1021/ja00978a039

Reference yield:

3,5-dimethyl-4-nitroaniline (34761-82-5) → 2,6-dimethyl-4-fluoroaniline (392-70-1)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) aq. HCl, NaNO₂, (ii) HPF₆

2: H₂ / Pd-C

With hydrogen; palladium on activated charcoal;

DOI:10.1021/ja00978a039

upstream raw materials:

2,6-dimethyl-4-fluoro-1-nitro-benzene

3,5-dimethylfluorobenzene

3,5-dimethyl-4-nitrobenzoic acid

3,5-dimethyl-4-nitroaniline

Downstream raw materials:

2,6-dimethyl-4-fluorobenzonitrile

dimethyl-2,6 fluoro-4 phenol

1-chloro-4-fluoro-2,6-dimethylbenzene

2‐bromo‐5‐fluoro‐1,3‐dimethylbenzene

Refernces

• 1、 -. "Benzo heterocyclic derivatives". Paragraph 0050; 0052-0054. . Retrieved 2017/12/30.
• 2、 -. "Process for the production of fluorinated organic compounds and fluorinating agents". . . Retrieved 2008/06/13.