2-(3-Methylphenoxy)benzoic acid

Base Information

• Chemical Name: 2-(3-Methylphenoxy)benzoic acid
• CAS No.: 6338-04-1
• Molecular Formula: C14H12O3
• Molecular Weight: 228.247
• NSC Number: 37594
• DSSTox Substance ID: DTXSID80284543
• Nikkaji Number: J1.893.880D
• Wikidata: Q82019543
• Mol file: 6338-04-1.mol

Synonyms:2-(3-methylphenoxy)benzoic acid;6338-04-1;2-(m-tolyloxy)benzoic acid;2-(3-Methylphenoxy)-benzoic acid;NSC37594;2-(m-tolyloxy)benzoicacid;SCHEMBL2867681;DTXSID80284543;NSC-37594;AKOS000263967;A50617;C78374;EN300-199665;Z335442200

Chemical Property of 2-(3-Methylphenoxy)benzoic acid

Chemical Property:

• Vapor Pressure: 1.09E-05mmHg at 25°C
• Boiling Point: 356.1°C at 760 mmHg
• Flash Point: 134°C
• PSA: 46.53000
• Density: 1.208g/cm³
• LogP: 3.48550
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 228.078644241
• Heavy Atom Count: 17
• Complexity: 264

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)OC2=CC=CC=C2C(=O)O

Technology Process of 2-(3-Methylphenoxy)benzoic acid

There total 7 articles about 2-(3-Methylphenoxy)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: 99.0%

ethyl 2-(3-methylphenoxy)benzoate → 2-m-tolyloxy-benzoic acid (6338-04-1)

Guidance literature:

With sodium hydroxide; In methanol; at 20 ℃; for 2h;

DOI:10.1016/j.bmcl.2006.06.074

Reference yield: 80.0%

3-methyl-phenol (108-39-4) + ortho-chlorobenzoic acid (118-91-2) → 2-m-tolyloxy-benzoic acid (6338-04-1)

Guidance literature:

With potassium carbonate; copper(II) sulfate; N,N-dimethyl-formamide; at 130 ℃; for 0.05h; microwave irradiation;

Reference yield: 63.0%

3-methyl-phenol (108-39-4) + ortho-chlorobenzoic acid (118-91-2) → 2-m-tolyloxy-benzoic acid (6338-04-1) + salicylic acid (69-72-7,25496-36-0,8052-31-1)

Guidance literature:

With pyridine; copper(l) iodide; copper; potassium carbonate; for 2h; Heating;

DOI:10.1080/00397919508012670

upstream raw materials:

potassium 2-chlorobenzoate

3-methyl-phenol

ortho-chlorobenzoic acid

2-fluorobenzonitrile

Downstream raw materials:

2,3'-oxy-di-benzoyl chloride

3'-methylphenyl salicylate

N-Phenoxy-2-m-tolyloxy-benzamide

N-Methoxy-2-m-tolyloxy-benzamide