2-Nitro-5-phenoxybenzoic acid

Base Information

• Chemical Name: 2-Nitro-5-phenoxybenzoic acid
• CAS No.: 53202-58-7
• Molecular Formula: C13H9NO5
• Molecular Weight: 259.218
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID80557769
• Wikidata: Q82439777
• Mol file: 53202-58-7.mol

Synonyms:2-NITRO-5-PHENOXYBENZOIC ACID;53202-58-7;SCHEMBL3889423;DTXSID80557769;ZSNNELPPGKIDBW-UHFFFAOYSA-N;AKOS000137396;2-Amino-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylicacidmethylester

Chemical Property of 2-Nitro-5-phenoxybenzoic acid

Chemical Property:

• Melting Point: 157 °C(Solv: acetic acid, 30% (64-19-7))
• Boiling Point: 425.0±35.0 °C(Predicted)
• PKA: 1.96±0.25(Predicted)
• PSA: 92.35000
• Density: 1.405±0.06 g/cm3(Predicted)
• LogP: 3.60850
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 259.04807239
• Heavy Atom Count: 19
• Complexity: 334

Purity/Quality:

97% ^*data from raw suppliers

2-NITRO-5-PHENOXYBENZOIC ACID 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

Technology Process of 2-Nitro-5-phenoxybenzoic acid

There total 3 articles about 2-Nitro-5-phenoxybenzoic 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:

5-chloro-2-nitrobenzoic acid (2516-95-2) + phenol (108-95-2,27073-41-2) → 2-nitro-5-phenoxy-benzoic acid (53202-58-7)

Guidance literature:

With copper; potassium carbonate; nitrobenzene;

Reference yield:

5-fluoro-2-nitrobenzoic acid (320-98-9) + phenol (108-95-2,27073-41-2) → 2-nitro-5-phenoxy-benzoic acid (53202-58-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 120 ℃; for 6h;

Reference yield:

→ 2-nitro-5-phenoxy-benzoic acid (53202-58-7)

Guidance literature:

2-Nitro-5-chlor-benzoesaeure, Kaliumphenylat in Nitrobenzol;

DOI:10.1139/v65-154

upstream raw materials:

5-chloro-2-nitrobenzoic acid

phenol

5-fluoro-2-nitrobenzoic acid

Downstream raw materials:

C₂₀H₂₀N₂O₅

C₂₀H₂₀N₂O₅

C₁₇H₁₄N₂O₅

C₂₂H₂₈N₂O₄

Refernces

• 1、 Mihalic, Jeffrey T.,Kim, Yong-Jae,Lizarzaburu, Mike,Deignan, Jeff,Wanska, Malgorzata,Yu, Ming,Fu, Jiasheng,Chen, Xi,Zhang, Alex,Connors, Richard,Liang, Lingming,Lindstrom, Michelle,Ma, Ji,Tang, Liang,Dai, Kang,Li, Leping,Chen, Xiaoqi. "Discovery of a new class of ghrelin receptor antagonists". scheme or table. p. 2046 - 2051. Retrieved 2012/04/17.
• 2、 -. "Anthranilic acid derivatives as inhibitors of 17beta-hydroxysteroid dehydrogenase 3". Page/Page column 17-18. . Retrieved 2008/06/13.