3-(2-Methylphenoxy)benzoic acid

Base Information

• Chemical Name: 3-(2-Methylphenoxy)benzoic acid
• CAS No.: 135611-26-6
• Molecular Formula: C₁₄H₁₂O₃
• Molecular Weight: 228.247
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID20394892
• Nikkaji Number: J3.459.144J
• Wikidata: Q82194578
• Mol file: 135611-26-6.mol

Synonyms:3-(2-Methylphenoxy)benzoic acid;135611-26-6;3-(O-tolyloxy)benzoicacid;3-(o-tolyloxy)benzoic acid;SCHEMBL2854877;3-(2-Methylphenoxy)benzoicacid;DTXSID20394892;ABEYEGNTRDVDCR-UHFFFAOYSA-N;AR1592;MFCD03840109;AKOS009158322;AS-45166;CS-0172167;A927586

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

Chemical Property:

• PSA: 46.53000
• LogP: 3.48550
• XLogP3: 3.3
• 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:

97% ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1OC2=CC=CC(=C2)C(=O)O

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

There total 2 articles about 3-(2-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:

bis(2-methylphenyl)iodonium tetrafluoroborate → 3-(o-tolyloxy)benzoic acid (135611-26-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium tert-butylate / tetrahydrofuran / 0.25 h / 0 °C

1.2: 3 h / 0 - 20 °C

2.1: lithium hydroxide monohydrate / 1,4-dioxane; water / 0.5 h / 20 °C

With lithium hydroxide monohydrate; potassium tert-butylate; In tetrahydrofuran; 1,4-dioxane; water;

DOI:10.1002/chem.201504596

Reference yield:

methyl 3-hydroxybenzoate (19438-10-9) → 3-(o-tolyloxy)benzoic acid (135611-26-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium tert-butylate / tetrahydrofuran / 0.25 h / 0 °C

1.2: 3 h / 0 - 20 °C

2.1: lithium hydroxide monohydrate / 1,4-dioxane; water / 0.5 h / 20 °C

With lithium hydroxide monohydrate; potassium tert-butylate; In tetrahydrofuran; 1,4-dioxane; water;

DOI:10.1002/chem.201504596

Reference yield:

3-(o-tolyloxy)benzoic acid (135611-26-6) → N-(quinolin-8-yl)-3-(o-tolyloxy)benzamide

Guidance literature:

Multi-step reaction with 2 steps

1: N,N-dimethyl-formamide; thionyl chloride / toluene / 3 h / 80 °C

2: potassium carbonate / acetonitrile / 0 - 20 °C

With thionyl chloride; potassium carbonate; N,N-dimethyl-formamide; In toluene; acetonitrile;

DOI:10.1002/chem.201504596

upstream raw materials:

methyl 3-hydroxybenzoate

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