4-(2-Phenoxyethoxy)benzoic acid

Base Information

• Chemical Name: 4-(2-Phenoxyethoxy)benzoic acid
• CAS No.: 22219-63-2
• Molecular Formula: C15H14 O4
• Molecular Weight: 258.274
• European Community (EC) Number: 667-065-0
• NSC Number: 120631
• DSSTox Substance ID: DTXSID90298111
• Nikkaji Number: J2.536.850I
• Wikidata: Q82039725
• ChEMBL ID: CHEMBL1468732
• Mol file: 22219-63-2.mol

Synonyms:4-(2-phenoxyethoxy)benzoic acid;22219-63-2;Benzoic acid,4-(2-phenoxyethoxy)-;MLS000737521;NSC120631;SCHEMBL1285278;CHEMBL1468732;DTXSID90298111;MIFKBDZVXBJUFX-UHFFFAOYSA-N;BBL023168;STL065609;AKOS000264557;NSC-120631;SMR000528548;VS-07341;VU0510735-1;EN300-113652;AN-329/13481001;F3146-0091

Chemical Property of 4-(2-Phenoxyethoxy)benzoic acid

Chemical Property:

• Vapor Pressure: 1.02E-08mmHg at 25°C
• Boiling Point: 445.4°C at 760 mmHg
• Flash Point: 168.6°C
• PSA: 55.76000
• Density: 1.224g/cm³
• 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: 265

Purity/Quality:

99% ^*data from raw suppliers

4-(2-Phenoxyethoxy)benzoic acid 95%+ ^*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=C(C=C2)C(=O)O

Technology Process of 4-(2-Phenoxyethoxy)benzoic acid

There total 8 articles about 4-(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: 100.0%

ethyl 4-(2-phenoxyethoxy)benzoate (56442-09-2) → 4-(2-phenoxy ethoxy)benzoic acid (22219-63-2)

Guidance literature:

With potassium hydroxide; In ethanol; water; at 90 ℃; for 4h;

DOI:10.1016/j.molstruc.2021.130465

Reference yield:

4-(2-phenoxy-ethoxy)-benzoic acid methyl ester (24041-24-5) → 4-(2-phenoxy ethoxy)benzoic acid (22219-63-2)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; methanol; for 1h; Heating;

DOI:10.1016/j.bmcl.2006.01.032

Reference yield:

2-Phenoxyethanol (122-99-6,56257-90-0,9004-78-8) → 4-(2-phenoxy ethoxy)benzoic acid (22219-63-2)

Guidance literature:

Multi-step reaction with 2 steps

1: Ph₃P; diisopropyl azodicarboxylate / tetrahydrofuran / 20 °C

2: aq. NaOH / methanol; tetrahydrofuran / 1 h / Heating

With sodium hydroxide; di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; methanol; 1: Mitsunobu reaction;

DOI:10.1016/j.bmcl.2006.01.032

upstream raw materials:

phenoxyethyl bromide

4-(2-phenoxy-ethoxy)-benzoic acid methyl ester

2-Phenoxyethanol

methyl 4-hydroxylbenzoate

Downstream raw materials:

4-(2-phenoxy-ethoxy)-benzoyl chloride

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