4-(3-Fluorophenoxy)aniline

Base Information

• Chemical Name: 4-(3-Fluorophenoxy)aniline
• CAS No.: 307308-62-9
• Molecular Formula: C12H10FNO
• Molecular Weight: 203.216
• Hs Code.: 2922299090
• European Community (EC) Number: 692-859-9
• DSSTox Substance ID: DTXSID70572926
• Wikidata: Q82461448
• Mol file: 307308-62-9.mol

Synonyms:4-(3-fluorophenoxy)aniline;307308-62-9;Benzenamine, 4-(3-fluorophenoxy)-;SCHEMBL3022627;DTXSID70572926;MFCD02663349;AKOS000215275;SB77456;AS-17968;CS-0139325;EN300-50893;C77666;A876103;J-018087;Z330804534

Chemical Property of 4-(3-Fluorophenoxy)aniline

Chemical Property:

• Boiling Point: 317.0±27.0 °C(Predicted)
• PKA: 4.73±0.10(Predicted)
• PSA: 35.25000
• Density: 1.220±0.06 g/cm3(Predicted)
• LogP: 3.78140
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 203.074642105
• Heavy Atom Count: 15
• Complexity: 192

Purity/Quality:

97% ^*data from raw suppliers

4-(3-Fluorophenoxy)aniline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)F)OC2=CC=C(C=C2)N

Technology Process of 4-(3-Fluorophenoxy)aniline

There total 4 articles about 4-(3-Fluorophenoxy)aniline 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: 90.0%

1-fluoro-3-(4-nitrophenoxy)benzene (34859-79-5) → 4-(3-fluorophenoxy)-aniline (307308-62-9)

Guidance literature:

With palladium hydroxide on carbon; hydrogen; In ethanol; at 20 ℃; under 760.051 Torr;

DOI:10.1021/jm100528p

Reference yield:

3-fluorophenol (372-20-3) → 4-(3-fluorophenoxy)-aniline (307308-62-9)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 6 h / 80 °C

2: ammonium chloride; zinc / water; ethanol / 1 h / 60 °C

With potassium carbonate; ammonium chloride; zinc; In ethanol; water; N,N-dimethyl-formamide;

Reference yield:

4-Fluoronitrobenzene (350-46-9,178603-76-4) → 4-(3-fluorophenoxy)-aniline (307308-62-9)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 6 h / 80 °C

2: ammonium chloride; zinc / water; ethanol / 1 h / 60 °C

With potassium carbonate; ammonium chloride; zinc; In ethanol; water; N,N-dimethyl-formamide;

upstream raw materials:

1-fluoro-3-(4-nitrophenoxy)benzene

3-fluorophenol

4-Fluoronitrobenzene

Downstream raw materials:

C₄₁H₂₆F₇N₃O₈

8-bromo-4-((4-(3-fluorophenoxy)phenyl)amino)-2-(methylthio)pyrido[4,3-d]pyrimidin-5(6H)-one

4-((4-(3-fluorophenoxy)phenyl)amino)-2-(methylthio)pyrido[4,3-d]pyrimidin-5(6H)-one

ethyl 4-((4-(3-fluorophenoxy)phenyl)amino)-6-methyl-2-(methylthio)pyrimidine-5-carboxylate

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