2-Nitroperbenzoic acid

Base Information

• Chemical Name: 2-Nitroperbenzoic acid
• CAS No.: 1711-41-7
• Molecular Formula: C7H5 N O5
• Molecular Weight: 183.12
• European Community (EC) Number: 216-982-0
• DSSTox Substance ID: DTXSID90169014
• Nikkaji Number: J203.102G
• Wikidata: Q83038645
• Mol file: 1711-41-7.mol

Synonyms:2-Nitroperbenzoic acid;1711-41-7;EINECS 216-982-0;o-nitroperoxybenzoic acid;Peroxybenzoic acid, o-nitro-;o-NitroperbenzoesA currencyure;SCHEMBL827585;DTXSID90169014;2-Nitrobenzeneperoxycarboxylic acid;Benzenecarboperoxoic acid, 2-nitro-

Chemical Property of 2-Nitroperbenzoic acid

Chemical Property:

• Vapor Pressure: 3.87E-06mmHg at 25°C
• Boiling Point: 370.3°C at 760 mmHg
• Flash Point: 177.8°C
• Density: 1.523g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 183.01677226
• Heavy Atom Count: 13
• Complexity: 211

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Nitroperbenzoic acid

There total 4 articles about 2-Nitroperbenzoic 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:

ortho-nitrobenzoic acid (552-16-9,104810-18-6) → o-nitroperoxybenzoic acid (1711-41-7)

Guidance literature:

With methanesulfonic acid; dihydrogen peroxide; In water; at 40 ℃; for 4h;

DOI:10.1021/jo060730a

Reference yield:

o-Nitro-benzoyl-diaethylphosphat (29913-03-9) → o-nitroperoxybenzoic acid (1711-41-7)

Guidance literature:

With methanesulfonic acid; dihydrogen peroxide; In diethyl ether;

DOI:10.1021/jo00814a027

Reference yield:

2-nitrobenzyl chloride (610-14-0) → o-nitroperoxybenzoic acid (1711-41-7)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether

2: H₂O₂, MeSO₃H / diethyl ether

With methanesulfonic acid; dihydrogen peroxide; In diethyl ether;

DOI:10.1021/jo00814a027

upstream raw materials:

o-Nitro-benzoyl-diaethylphosphat

ortho-nitrobenzoic acid

2-nitrobenzyl chloride

Downstream raw materials:

N-[(5R)-3,3-dimethyl-2c-(2-nitro-benzoyloxy)-4t,7-dioxo-(5rH)-4λ⁴-thia-1-aza-bicyclo[3.2.0]hept-6c-yl]-2-phenyl-acetamide

N-[(5R)-3,3-dimethyl-2c-(2-nitro-benzoyloxy)-4t,7-dioxo-(5rH)-4λ⁴-thia-1-aza-bicyclo[3.2.0]hept-6t-yl]-2-phenyl-acetamide

Refernces