4-Nitrobenzoic acid 2-hydroxyethyl ester

Base Information

• Chemical Name: 4-Nitrobenzoic acid 2-hydroxyethyl ester
• CAS No.: 10516-12-8
• Molecular Formula: C9H9NO5
• Molecular Weight: 211.174
• DSSTox Substance ID: DTXSID801293171
• Nikkaji Number: J1.149.588E
• Mol file: 10516-12-8.mol

Synonyms:4-Nitrobenzoic acid 2-hydroxyethyl ester;2-hydroxyethyl 4-nitrobenzoate;hydroxyethyl p-nitrobenzoate;2-hydroxyethyl-4-nitrobenzoate;SCHEMBL9420687;JACGCXYEJRIZNG-UHFFFAOYSA-N;DTXSID801293171;1,2-Ethanediol, 1-(4-nitrobenzoate);10516-12-8

Chemical Property of 4-Nitrobenzoic acid 2-hydroxyethyl ester

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 211.04807239
• Heavy Atom Count: 15
• Complexity: 229

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)OCCO)[N+](=O)[O-]

Technology Process of 4-Nitrobenzoic acid 2-hydroxyethyl ester

There total 11 articles about 4-Nitrobenzoic acid 2-hydroxyethyl ester 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-(4-nitrophenyl)-1,3-dioxolane (2403-53-4) → 2-hydroxyethyl 4-nitrobenzoate (10516-12-8)

Guidance literature:

With [bis(acetoxy)iodo]benzene; water; lithium bromide; at 20 ℃; for 0.75h;

DOI:10.1016/j.tet.2010.01.098

Reference yield: 81.0%

4-nitrobenzaldehdye (555-16-8) + ethylene glycol (107-21-1) → 2-hydroxyethyl 4-nitrobenzoate (10516-12-8)

Guidance literature:

With water; iodine; sodium nitrite; In dichloromethane; at 20 - 70 ℃; chemoselective reaction;

DOI:10.1055/s-0029-1217121

Reference yield: 70.0%

4-nitrobenzaldehdye (555-16-8) + ethylene glycol (107-21-1) → 2-hydroxyethyl 4-nitrobenzoate (10516-12-8) + 4-nitro-benzoic acid (62-23-7)

Guidance literature:

With oxygen; potassium carbonate; In acetonitrile; at 0 ℃; for 24h;

DOI:10.1002/asia.201000624

upstream raw materials:

ethylene glycol

4-nitro-benzoic acid

4-nitrobenzonitrile

2-(4-nitrophenyl)-1,3-dioxolane

Downstream raw materials:

ethylene glycol di-para-nitrobenzoate

4-amino-benzoic acid-(2-hydroxy-ethyl ester)

4-Nitro-benzoic acid 2-(2-bromo-cyclohexyloxy)-ethyl ester

C₁₆H₁₁N₃O₆S