2-(4-Methoxyphenoxy)-5-nitrobenzoic acid

Base Information

• Chemical Name: 2-(4-Methoxyphenoxy)-5-nitrobenzoic acid
• CAS No.: 33459-12-0
• Molecular Formula: C14H11 N O6
• Molecular Weight: 289.24024
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID20384192
• Wikidata: Q82176159
• Mol file: 33459-12-0.mol

Synonyms:2-(4-methoxyphenoxy)-5-nitrobenzoic acid;33459-12-0;Maybridge1_001707;HMS546F13;Oprea1_473752;SCHEMBL6590677;DTXSID20384192;QRZWQIKFHYAHFP-UHFFFAOYSA-N;CCG-42894;MFCD00052264;AKOS000147270;2-(4-Methoxy-phenoxy)-5-nitro-benzoic acid;CS-0247742;FT-0746772;EN300-37314;J-019194;SR-01000632854-1;Z55983617

Chemical Property of 2-(4-Methoxyphenoxy)-5-nitrobenzoic acid

Chemical Property:

• PSA: 101.58000
• LogP: 3.61710
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 289.05863707
• Heavy Atom Count: 21
• Complexity: 374

Purity/Quality:

99%, ^*data from raw suppliers

2-(4-Methoxyphenoxy)-5-nitrobenzoicacid 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=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Technology Process of 2-(4-Methoxyphenoxy)-5-nitrobenzoic acid

There total 2 articles about 2-(4-Methoxyphenoxy)-5-nitrobenzoic 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: 85.0%

2-chloro-5-nitrobenzoic acid (2516-96-3) + 4-methoxy-phenol (150-76-5) → 2-(4-methoxyphenoxy)-5-nitrobenzoic acid (33459-12-0)

Guidance literature:

2-chloro-5-nitrobenzoic acid; With potassium carbonate; In N,N-dimethyl-formamide; at 120 - 125 ℃;

4-methoxy-phenol; In N,N-dimethyl-formamide; at 80 - 125 ℃;

DOI:10.3184/174751911X13090888724310

Reference yield:

→ 2-(4-methoxyphenoxy)-5-nitrobenzoic acid (33459-12-0)

Guidance literature:

2-Cl-Verb., ROH;

Reference yield:

methanol (67-56-1) + 2-(4-methoxyphenoxy)-5-nitrobenzoic acid (33459-12-0) → 2-(4-methoxyphenoxy)-5-nitrobenzoic acid methyl ester (288151-74-6)

Guidance literature:

sulfuric acid; for 16h; Heating / reflux;

upstream raw materials:

2-chloro-5-nitrobenzoic acid

4-methoxy-phenol

Downstream raw materials:

2-(4-methoxyphenoxy)-5-nitrobenzoyl chloride

2-(4-methoxyphenoxy)-5-nitrobenzoic acid methyl ester