3-Butyl-1,2,4-trioxolane

Base Information

• Chemical Name: 3-Butyl-1,2,4-trioxolane
• CAS No.: 767-09-9
• Molecular Formula: C6H12O3
• Molecular Weight: 132.159
• DSSTox Substance ID: DTXSID60542133
• Nikkaji Number: J1.068.022K
• Mol file: 767-09-9.mol

Synonyms:3-Butyl-1,2,4-trioxolane;767-09-9;DTXSID60542133

Chemical Property of 3-Butyl-1,2,4-trioxolane

Chemical Property:

• Vapor Pressure: 7.052mmHg at 25°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 132.078644241
• Heavy Atom Count: 9
• Complexity: 74.7

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1OCOO1

Technology Process of 3-Butyl-1,2,4-trioxolane

There total 1 articles about 3-Butyl-1,2,4-trioxolane 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:

1-hexene (592-41-6,25067-06-5) → butyl-[1,2,4]trioxolane (767-09-9) + pentanal (110-62-3) + n-butyl formate (592-84-7) + carbon monoxide (201230-82-2)

Guidance literature:

With ozone; In gas; at -40 ℃; Further byproducts given;

DOI:10.1039/a807208f

Reference yield: 26.3%

butyl-[1,2,4]trioxolane (767-09-9) + butyraldehyde (123-72-8) → formaldehyd (50-00-0,30525-89-4,61233-19-0) + formic acid (64-18-6) + pentanal (110-62-3) + butyric acid (107-92-6) + valeric acid (109-52-4)

Guidance literature:

at 90 ℃; for 6h; Product distribution;

Reference yield: 21.0%

butyl-[1,2,4]trioxolane (767-09-9) → formaldehyd (50-00-0,30525-89-4,61233-19-0) + formic acid (64-18-6) + pentanal (110-62-3) + butyric acid (107-92-6) + valeric acid (109-52-4)

Guidance literature:

In acetic acid; at 90 ℃; for 6h; Product distribution; Thermodynamic data; Rate constant; other solvents, other temperature, ΔS (excit.), ΔG (excit.), ΔH (excit.);

upstream raw materials:

1-hexene

Downstream raw materials:

pentanal

Dimethoxymethane

Methyl formate

methyl valerate

Refernces