3-Fluoro-2,6-dimethylaniline

Base Information

• Chemical Name: 3-Fluoro-2,6-dimethylaniline
• CAS No.: 27760-78-7
• Molecular Formula: C8H10FN
• Molecular Weight: 139.173
• DSSTox Substance ID: DTXSID601301855
• Mol file: 27760-78-7.mol

Synonyms:3-FLUORO-2,6-DIMETHYLANILINE;27760-78-7;SCHEMBL19690348;3-Fluoro-2,6-dimethylbenzenamine;DTXSID601301855;AKOS006360077

Chemical Property of 3-Fluoro-2,6-dimethylaniline

Chemical Property:

• Boiling Point: 98-99 °C(Press: 10 Torr)
• PKA: 3.29±0.10(Predicted)
• PSA: 26.02000
• Density: 1.083±0.06 g/cm3(Predicted)
• LogP: 2.60590
• 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: 116

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=C(C=C1)F)C)N

Technology Process of 3-Fluoro-2,6-dimethylaniline

There total 2 articles about 3-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: 81.0%

1-fluoro-2,4-dimethyl-3-nitrobenzene (3013-35-2) → 3-fluoro-2,6-dimethylaniline (27760-78-7)

Guidance literature:

With ammonium chloride; zinc; In methanol; water; at 23 ℃; for 3h;

Reference yield:

1-bromo-4-fluoro-3-methyl-2-nitrobenzene (1286734-82-4) → 3-fluoro-2,6-dimethylaniline (27760-78-7)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrakis-(triphenylphosphine)-palladium; potassium carbonate / water monomer; 1,2-dimethoxyethane / 72 h / 23 - 100 °C

2: zinc powder; ammonia hydrochloride / methanol; water monomer / 3 h / 23 °C

With tetrakis-(triphenylphosphine)-palladium; potassium carbonate; ammonia hydrochloride; zinc powder; In methanol; 1,2-dimethoxyethane; water monomer;

Reference yield: 53.0%

3-fluoro-2,6-dimethylaniline (27760-78-7) → 4-bromo-3-fluoro-2,6-dimethylaniline

Guidance literature:

With N-Bromosuccinimide; acetic acid; at 23 ℃; for 0.166667h;

upstream raw materials:

1-bromo-4-fluoro-3-methyl-2-nitrobenzene

1-fluoro-2,4-dimethyl-3-nitrobenzene

Refernces

• 1、 -. "FLUORINATED 2-AMINO-4-(SUBSTITUTED AMINO)PHENYL CARBAMATE DERIVATIVES". . . Retrieved 2018/01/14.