2,3-Difluoro-4-octoxybenzoic acid

Base Information

• Chemical Name: 2,3-Difluoro-4-octoxybenzoic acid
• CAS No.: 122265-96-7
• Molecular Formula: C15H20 F2 O3
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID20364939
• Wikidata: Q82149175
• Mol file: 122265-96-7.mol

Synonyms:122265-96-7;2,3-difluoro-4-octoxybenzoic acid;2,3-difluoro-4-(octyloxy)benzoic acid;AA-516/12432285;2,3-DIFLUORO-4-(OCTYLOXY)-BENZOIC ACID;SCHEMBL9407189;DTXSID20364939

Chemical Property of 2,3-Difluoro-4-octoxybenzoic acid

Chemical Property:

• PSA: 46.53000
• LogP: 4.40230
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 286.13805082
• Heavy Atom Count: 20
• Complexity: 286

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCOC1=C(C(=C(C=C1)C(=O)O)F)F

Technology Process of 2,3-Difluoro-4-octoxybenzoic acid

There total 7 articles about 2,3-Difluoro-4-octoxybenzoic 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: 78.0%

2,3-difluoro-4-(octyloxy)-acetophenone (122265-90-1) → 2,3-difluoro-4-octyloxybenzoic acid (122265-96-7)

Guidance literature:

With bromine; In 1,4-dioxane; sodium hydroxide; 1.) rt, 30 min; 2.) 50 deg C, 30 min;

DOI:10.1002/hlca.19890720319

Reference yield:

2,3-difluorophenol (6418-38-8) → 2,3-difluoro-4-octyloxybenzoic acid (122265-96-7)

Guidance literature:

Multi-step reaction with 3 steps

1: KOH / ethanol

2: FeCl₃ / CH₂Cl₂

3: Br₂; aq. NaOH / dioxane

With potassium hydroxide; sodium hydroxide; bromine; iron(III) chloride; In 1,4-dioxane; ethanol; dichloromethane;

DOI:10.1039/b201467j

Reference yield:

2,3-difluoro-1-n-octyloxybenzene (121219-21-4) → 2,3-difluoro-4-octyloxybenzoic acid (122265-96-7)

Guidance literature:

Multi-step reaction with 2 steps

1: FeCl₃ / CH₂Cl₂

2: Br₂; aq. NaOH / dioxane

With sodium hydroxide; bromine; iron(III) chloride; In 1,4-dioxane; dichloromethane;

DOI:10.1039/b201467j

upstream raw materials:

2,3-difluoro-4-(octyloxy)-acetophenone

carbon dioxide

2,3-difluoro-1-n-octyloxybenzene

1-bromo-octane

Downstream raw materials:

2,3-Difluoro-4-octyloxy-benzoic acid 4-nitro-phenyl ester

2,3-Difluoro-4-octyloxy-benzoic acid 4-formyl-phenyl ester

2,3-Difluoro-4-octyloxy-benzoic acid 4-amino-phenyl ester

Refernces

• 1、 Liu, Xiao-Hua,Manners, Ian,Bruce, Duncan W.. "Mesomorphic di- and tetra-fluorinated imines and their complexes with Re I". . p. 1555 - 1560. Retrieved 2007/10/03.