4-(Methoxycarbonyl)benzenecarboperoxoic acid

Base Information

• Chemical Name: 4-(Methoxycarbonyl)benzenecarboperoxoic acid
• CAS No.: 28276-78-0
• Molecular Formula: C9H8O5
• Molecular Weight: 196.16
• DSSTox Substance ID: DTXSID40498821
• Wikidata: Q82349123
• Mol file: 28276-78-0.mol

Synonyms:4-(methoxycarbonyl)benzenecarboperoxoic acid;28276-78-0;p-carbomethoxyperbenzoic acid;SCHEMBL8154988;DTXSID40498821;4-methoxycarbonyl-benzenecarboperoxoic acid;4-(Methoxycarbonyl)benzene-1-carboperoxoic acid;4-Hydroperoxycarbonyl-benzoic acid methyl ester

Chemical Property of 4-(Methoxycarbonyl)benzenecarboperoxoic acid

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 196.03717335
• Heavy Atom Count: 14
• Complexity: 217

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=CC=C(C=C1)C(=O)OO

Technology Process of 4-(Methoxycarbonyl)benzenecarboperoxoic acid

There total 2 articles about 4-(Methoxycarbonyl)benzenecarboperoxoic 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: 83.0%

methyl 4-formylbenzoate (1571-08-0) → p-(methoxycarbonyl)perbenzoic acid (28276-78-0)

Guidance literature:

With oxygen; ozone; In tetrachloromethane; at 20 - 25 ℃;

DOI:10.1007/BF00576092

Reference yield:

→ p-(methoxycarbonyl)perbenzoic acid (28276-78-0)

Guidance literature:

DOI:10.1021/jo00798a063

Reference yield:

p-(methoxycarbonyl)perbenzoic acid (28276-78-0) → 4-methyl-benzoic acid methyl ester (99-75-2)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / CHCl₃ / 2 h / -10 °C

2: gaseous matrix / -233.2 °C / Irradiation

With pyridine; In chloroform;

DOI:10.1002/(SICI)1521-3773(19980420)37:7<955::AID-ANIE955>3.0.CO;2-T

upstream raw materials:

methyl 4-formylbenzoate

Downstream raw materials:

4-Acetylperoxycarbonyl-benzoic acid methyl ester

4-methyl-benzoic acid methyl ester