2-[(2-methylphenoxy)methyl]benzoic Acid

Base Information

• Chemical Name: 2-[(2-methylphenoxy)methyl]benzoic Acid
• CAS No.: 108475-90-7
• Molecular Formula: C15H14O3
• Molecular Weight: 242.274
• Hs Code.: 2918990090
• European Community (EC) Number: 600-873-3
• DSSTox Substance ID: DTXSID20451792
• Wikidata: Q82272016
• Mol file: 108475-90-7.mol

Synonyms:2-[(2-methylphenoxy)methyl]benzoic Acid;108475-90-7;2-((o-Tolyloxy)methyl)benzoic acid;SCHEMBL5291219;DTXSID20451792;2-((o-Tolyloxy)methyl)benzoicacid;AKOS009530953;2-(2-methy1phenoxymethy1)benzioc acid;FT-0752640;E87482

Chemical Property of 2-[(2-methylphenoxy)methyl]benzoic Acid

Chemical Property:

• Vapor Pressure: 3.72E-07mmHg at 25°C
• Boiling Point: 401.2oC at 760 mmHg
• Flash Point: 150.7oC
• PSA: 46.53000
• LogP: 3.27220
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 242.094294304
• Heavy Atom Count: 18
• Complexity: 277

Purity/Quality:

98%min ^*data from raw suppliers

2-[(2-Methylphenoxy)methyl]benzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1OCC2=CC=CC=C2C(=O)O

Technology Process of 2-[(2-methylphenoxy)methyl]benzoic Acid

There total 6 articles about 2-[(2-methylphenoxy)methyl]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: 94.89%

2-benzofuran-1(3H)-one (87-41-2) + ortho-cresol (95-48-7,77504-84-8) → 2-[(2-methylphenoxy)methyl]benzoic acid (108475-90-7)

Guidance literature:

ortho-cresol; With sodium methylate; at 58 ℃; for 1.5h;

2-benzofuran-1(3H)-one; In methanol; at 80 - 155 ℃; for 8.5h;

Reference yield: 85.0%

2-benzofuran-1(3H)-one (87-41-2) + aqueous potassium hydroxide + ortho-cresol (95-48-7,77504-84-8) → 2-[(2-methylphenoxy)methyl]benzoic acid (108475-90-7)

Guidance literature:

With hydrogenchloride; In N-methyl-acetamide; 5,5-dimethyl-1,3-cyclohexadiene; chloroform-d1; water; acetone;

Reference yield: 70.0%

→ 2-[(2-methylphenoxy)methyl]benzoic acid (108475-90-7)

Guidance literature:

With sodium t-butanolate; In tetrahydrofuran; at 20 ℃; for 1h;

upstream raw materials:

2-benzofuran-1(3H)-one

ortho-cresol

2-[(2-methylphenoxy)methyl]benzoyl chloride

2-[(2-methylphenoxy)methyl]benzoyl cyanide

Downstream raw materials:

2-o-tolyloxymethyl-benzoic acid-(2-ethyl-hexyl ester)

2-[(2-methylphenoxy)methyl]benzoyl chloride

2-o-tolyloxymethylbenzoic acid methyl ester

ethyl 2-(2-methylphenoxymethyl)benzoate