3-(3-carboxyphenoxy)benzoic Acid

Base Information

• Chemical Name: 3-(3-carboxyphenoxy)benzoic Acid
• CAS No.: 15791-89-6
• Molecular Formula: C14H10O5
• Molecular Weight: 258.2262
• DSSTox Substance ID: DTXSID70166329
• Nikkaji Number: J802.826E
• Wikidata: Q83035530
• Mol file: 15791-89-6.mol

Synonyms:3-(3-carboxyphenoxy)benzoic Acid;15791-89-6;Benzoic acid, 3,3'-oxybis-;3,3'-oxydibenzoic acid;SCHEMBL68858;DTXSID70166329

Chemical Property of 3-(3-carboxyphenoxy)benzoic Acid

Chemical Property:

• Boiling Point: 492.2°Cat760mmHg
• Flash Point: 191.9°C
• Density: 1.395g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 258.05282342
• Heavy Atom Count: 19
• Complexity: 309

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(3-carboxyphenoxy)benzoic Acid

There total 5 articles about 3-(3-carboxyphenoxy)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: 49.0%

3-Carboxyphenol (99-06-9) + 3-chlorobenzoate (535-80-8) → 3,3'-oxy-di-benzoic acid (15791-89-6)

Guidance literature:

With 8-quinolinol; potassium carbonate; copper(l) chloride; Tris(3,6-dioxaheptyl)amine; In various solvent(s); at 170 ℃; for 12h;

DOI:10.1016/j.bmcl.2004.03.097

Reference yield:

di-m-tolyl ether (19814-71-2) → 3,3'-oxy-di-benzoic acid (15791-89-6)

Guidance literature:

With potassium permanganate;

Reference yield:

→ 3,3'-oxy-di-benzoic acid (15791-89-6)

Guidance literature:

With nickel; sodium carbonate;

DOI:10.1021/ja01592a084

upstream raw materials:

di-m-tolyl ether

3-Carboxyphenol

3-chlorobenzoate

meta-bromotoluene

Downstream raw materials:

C₁₈H₁₈O₅

(3-{3-[hydroxy-bis-(4-methoxy-phenyl)-methyl]-phenoxy}-phenyl)-bis-(4-methoxy-phenyl)-methanol

C₄₂H₃₆Cl₂O₅

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