Formic acid 2-nitrobenzyl ester

Base Information

• Chemical Name: Formic acid 2-nitrobenzyl ester
• CAS No.: 65962-16-5
• Molecular Formula: C8H7NO4
• Molecular Weight: 181.148
• DSSTox Substance ID: DTXSID801290496
• Nikkaji Number: J1.576.587I
• Mol file: 65962-16-5.mol

Synonyms:SCHEMBL9268;Formic acid 2-nitrobenzyl ester;DTXSID801290496;Benzenemethanol, 2-nitro-, 1-formate;65962-16-5

Chemical Property of Formic acid 2-nitrobenzyl ester

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 181.03750770
• Heavy Atom Count: 13
• Complexity: 189

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Formic acid 2-nitrobenzyl ester

There total 4 articles about Formic acid 2-nitrobenzyl 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: 94.0%

2-Nitrobenzyl alcohol (612-25-9) + formic acid ethyl ester (109-94-4) → 2-nitrobenzyl formate (65962-16-5)

Guidance literature:

With K5; for 1.25h; Heating;

DOI:10.1016/S0040-4020(01)00806-7

Reference yield: 80.0%

formic acid (64-18-6) + 2-Nitrobenzyl alcohol (612-25-9) → 2-nitrobenzyl formate (65962-16-5)

Guidance literature:

With silica triflate; In hexane; for 1h; Heating;

DOI:10.1080/10426500601160710

Reference yield:

formate (71-47-6) + 2-nitrophenylmethyl bromide (3958-60-9) → 2-nitrobenzyl formate (65962-16-5)

Guidance literature:

With silica; tetrabutylammomium bromide; sodium butyrate; 2,4-dimethylpentan-3-one; In water; at 65 ℃; for 5h;

DOI:10.1016/j.mcat.2020.111335

upstream raw materials:

formic acid

2-Nitrobenzyl alcohol

formic acid ethyl ester

2-nitrobenzyl chloride