2-(Benzyloxy)-5-nitrobenzoic acid

Base Information

• Chemical Name: 2-(Benzyloxy)-5-nitrobenzoic acid
• CAS No.: 874523-84-9
• Molecular Formula: C14H11NO5
• Molecular Weight: 273.245
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID50356226
• Wikidata: Q82135466
• Mol file: 874523-84-9.mol

Synonyms:2-(Benzyloxy)-5-nitrobenzoic acid;874523-84-9;2-(Benzyloxy)-5-nitrobenzenecarboxylic acid;5-nitro-2-phenylmethoxybenzoic acid;SCHEMBL1319458;NIOSH/DG4340710;5-Nitro-2-benzyloxybenzoic acid;DTXSID50356226;2-(Benzyloxy)-5-nitrobenzoicacid;(2-Benzyloxy)-5-nitrobenzoic acid;ZJB52384;MFCD00527903;AKOS000150926;HD-0007;Benzoic acid, 2-(benzyloxy)-5-nitro-;DG43407100;AP-770/42745225;J-506244

Chemical Property of 2-(Benzyloxy)-5-nitrobenzoic acid

Chemical Property:

• Melting Point: 167-169°
• PSA: 92.35000
• LogP: 3.39520
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 273.06372245
• Heavy Atom Count: 20
• Complexity: 348

Purity/Quality:

98%min ^*data from raw suppliers

2-(Benzyloxy)-5-nitrobenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Technology Process of 2-(Benzyloxy)-5-nitrobenzoic acid

There total 5 articles about 2-(Benzyloxy)-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: 90.0%

benzyl 2-benzyloxy-5-nitrobenzoate (1329485-44-0) → 2-benzyloxy-5-nitrobenzoic acid (874523-84-9)

Guidance literature:

With water; lithium hydroxide; In tetrahydrofuran; at 25 ℃; for 12h;

Reference yield:

ethyl 5-nitrosalicylate (42348-40-3) → 2-benzyloxy-5-nitrobenzoic acid (874523-84-9)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous potassium carbonate; sodium iodide; butanone

2: aqueous methanol. KOH-solution

With potassium hydroxide; potassium carbonate; butanone; sodium iodide;

DOI:10.1021/ja01251a038

Reference yield:

benzyl chloride (100-44-7) → 2-benzyloxy-5-nitrobenzoic acid (874523-84-9)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous potassium carbonate; sodium iodide; butanone

2: aqueous methanol. KOH-solution

With potassium hydroxide; potassium carbonate; butanone; sodium iodide;

DOI:10.1021/ja01251a038

upstream raw materials:

2-benzyloxy-5-nitro-benzoic acid ethyl ester

ethyl 5-nitrosalicylate

benzyl chloride

benzyl 2-benzyloxy-5-nitrobenzoate

Downstream raw materials:

5-nitrosalicylic acid

benzyl 2-hydroxy-5-nitrobenzoate

2-benzyloxy-5-nitro-benzoic acid methyl ester

Refernces

• 1、 -. "MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME". Page/Page column 124; 125. . Retrieved 2019/01/06.