3-(2-phenoxyethoxy)benzoic Acid

Base Information

• Chemical Name: 3-(2-phenoxyethoxy)benzoic Acid
• CAS No.: 116495-73-9
• Molecular Formula: C15H14O4
• Molecular Weight: 258.26900
• DSSTox Substance ID: DTXSID40406527
• Nikkaji Number: J2.536.851G
• Mol file: 116495-73-9.mol

Synonyms:3-(2-phenoxyethoxy)benzoic Acid;116495-73-9;SCHEMBL6932542;DTXSID40406527;AKOS000319412;AN-329/13481004

Chemical Property of 3-(2-phenoxyethoxy)benzoic Acid

Chemical Property:

• PSA: 55.76000
• LogP: 2.84260
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 258.08920892
• Heavy Atom Count: 19
• Complexity: 273

Purity/Quality:

3-(2-phenoxyethoxy)benzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OCCOC2=CC=CC(=C2)C(=O)O

Technology Process of 3-(2-phenoxyethoxy)benzoic Acid

There total 5 articles about 3-(2-phenoxyethoxy)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:

phenoxyethyl alcohol (56101-99-6) + triphenyl phosphene → 3-<2-(phenoxy)ethoxy>benzoic acid (116495-73-9)

Guidance literature:

With bromine; In tetrachloromethane; dichloromethane;

Reference yield:

3-(2-phenoxy-ethoxy)-benzoic acid methyl ester (2788-70-7) → 3-<2-(phenoxy)ethoxy>benzoic acid (116495-73-9)

Guidance literature:

With sodium hydroxide; In methanol; for 4h; Ambient temperature;

DOI:10.1016/0968-0896(96)00140-X

Reference yield:

methyl 3-hydroxybenzoate (19438-10-9) → 3-<2-(phenoxy)ethoxy>benzoic acid (116495-73-9)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃ / dimethylformamide / 6 h / 60 °C

2: 10percent aq. NaOH / methanol / 4 h / Ambient temperature

With sodium hydroxide; potassium carbonate; In methanol; N,N-dimethyl-formamide;

DOI:10.1016/0968-0896(96)00140-X

upstream raw materials:

3-(2-phenoxy-ethoxy)-benzoic acid methyl ester

methyl 3-hydroxybenzoate

phenoxyethyl bromide

phenoxyethyl alcohol