3-Fluoro-4-nonyloxy benzoic acid

Base Information

• Chemical Name: 3-Fluoro-4-nonyloxy benzoic acid
• CAS No.: 614-88-0
• Molecular Formula: C₁₆H₂₃FO₃
• Molecular Weight: 282.355
• DSSTox Substance ID: DTXSID401300237
• Mol file: 614-88-0.mol

Synonyms:3-fluoro-4-nonyloxy benzoic acid;SCHEMBL5347089;YVNFUNGFOGSAHH-UHFFFAOYSA-N;DTXSID401300237;3-Fluoro-4-(nonyloxy)benzoic acid;614-88-0

Chemical Property of 3-Fluoro-4-nonyloxy benzoic acid

Chemical Property:

• XLogP3: 5.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 282.16312275
• Heavy Atom Count: 20
• Complexity: 270

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCOC1=C(C=C(C=C1)C(=O)O)F

Technology Process of 3-Fluoro-4-nonyloxy benzoic acid

There total 5 articles about 3-Fluoro-4-nonyloxy benzoic acid 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:

1-fluoro-2-methoxybenzene (321-28-8) → 3-fluoro-4-nonyloxy-benzoic acid (614-88-0)

Guidance literature:

Multi-step reaction with 4 steps

1: Br₂ / CHCl₃

2: dimethylformamide / 200 °C

3: HBr; AcOH / 16 h / Heating

4: KOH / ethanol

With potassium hydroxide; hydrogen bromide; bromine; acetic acid; In ethanol; chloroform; N,N-dimethyl-formamide;

DOI:10.1039/b201467j

Reference yield:

3-fluoro-4-methoxybenzonitrile (331-62-4) → 3-fluoro-4-nonyloxy-benzoic acid (614-88-0)

Guidance literature:

Multi-step reaction with 2 steps

1: HBr; AcOH / 16 h / Heating

2: KOH / ethanol

With potassium hydroxide; hydrogen bromide; acetic acid; In ethanol;

DOI:10.1039/b201467j

Reference yield:

3-fluoro-4-methoxyphenyl bromide (2357-52-0) → 3-fluoro-4-nonyloxy-benzoic acid (614-88-0)

Guidance literature:

Multi-step reaction with 3 steps

1: dimethylformamide / 200 °C

2: HBr; AcOH / 16 h / Heating

3: KOH / ethanol

With potassium hydroxide; hydrogen bromide; acetic acid; In ethanol; N,N-dimethyl-formamide;

DOI:10.1039/b201467j

upstream raw materials:

1-Bromononane

3-fluoro-4-hydroxybenzoic acid

1-fluoro-2-methoxybenzene

3-fluoro-4-methoxybenzonitrile

Refernces

• 1、 -. "Novel halogen-containing ester compounds, and their intermediates, and method of producing the same as well as liquid crystal compositions containing the same and light switching elements". . . Retrieved 2008/06/13.