2-(3-Chlorophenoxy)-5-methoxybenzoic acid

Base Information

• Chemical Name: 2-(3-Chlorophenoxy)-5-methoxybenzoic acid
• CAS No.: 86456-12-4
• Molecular Formula: C14H11ClO4
• Molecular Weight: 278.692
• DSSTox Substance ID: DTXSID30542483
• Wikidata: Q82419166
• Mol file: 86456-12-4.mol

Synonyms:2-(3-Chlorophenoxy)-5-methoxybenzoic acid;86456-12-4;2-(3-Chlorophenoxy)-5-methoxybenzoicacid;SCHEMBL11000039;DTXSID30542483

Chemical Property of 2-(3-Chlorophenoxy)-5-methoxybenzoic acid

Chemical Property:

• PSA: 55.76000
• LogP: 3.83910
• Storage Temp.: 2-8°C
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 278.0345865
• Heavy Atom Count: 19
• Complexity: 310

Purity/Quality:

98% ^*data from raw suppliers

2-(3-Chlorophenoxy)-5-methoxybenzoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)OC2=CC(=CC=C2)Cl)C(=O)O

Technology Process of 2-(3-Chlorophenoxy)-5-methoxybenzoic acid

There total 1 articles about 2-(3-Chlorophenoxy)-5-methoxybenzoic 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:

3-iodochlorobenzene (625-99-0) + 5-methoxysalicylic acid (2612-02-4) → 2-(3-chlorophenoxy)-5-methoxybenzoic acid (86456-12-4)

Guidance literature:

With copper(l) iodide; copper; potassium carbonate; Yield given. Multistep reaction; 1.) DMF, 120 deg C, 10 min, 2.) DMF, reflux, 50 h;

DOI:10.1021/jm00363a007

Reference yield:

2-(3-chlorophenoxy)-5-methoxybenzoic acid (86456-12-4) → NSC 354677 (86456-22-6)

Guidance literature:

Multi-step reaction with 4 steps

1: 1.) 50percent polyphosphoric acid, 2.) pyridine / 1.) 120 deg C, 3 h, 2.) reflux, 16 h

2: 87 percent / 56percent HI / 4 h / Heating

3: 92 percent / pyridine / 1.5 h / 50 °C

4: 46 percent / 5 N aq. acetic acid / 72 h / 70 °C

With pyridine; PPA; hydrogen iodide; acetic acid;

DOI:10.1021/jm00363a007

Reference yield:

2-(3-chlorophenoxy)-5-methoxybenzoic acid (86456-12-4) → 1-<<2-(dimethylamino)ethyl>amino>-7-(toluenesulfonyloxy)-9H-xanthen-9-one (86456-20-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) 50percent polyphosphoric acid, 2.) pyridine / 1.) 120 deg C, 3 h, 2.) reflux, 16 h

2: 87 percent / 56percent HI / 4 h / Heating

3: 92 percent / pyridine / 1.5 h / 50 °C

With pyridine; PPA; hydrogen iodide;

DOI:10.1021/jm00363a007

upstream raw materials:

3-iodochlorobenzene

5-methoxysalicylic acid

Downstream raw materials:

1-chloro-7-methoxy-9H-xanthen-9-one

3-chloro-7-methoxy-9H-xanthen-9-one

1-<<2-(dimethylamino)ethyl>amino>-7-methoxy-9H-xanthen-9-one

1-<<2-(dimethylamino)ethyl>amino>-7-hydroxy-9H-xanthen-9-one

Refernces