1,4-Dioxanyl hydroperoxide

Base Information

• Chemical Name: 1,4-Dioxanyl hydroperoxide
• CAS No.: 4722-59-2
• Molecular Formula: C4H8O4
• Molecular Weight: 120.105
• DSSTox Substance ID: DTXSID30963775
• Nikkaji Number: J101.087E
• Mol file: 4722-59-2.mol

Synonyms:1,4-Dioxanyl hydroperoxide;4722-59-2;Dioxane hydroperoxide;Hydroperoxide, 1,4-dioxan-2-yl-;p-Dioxan-2-yl hydroperoxide;Hydroperoxide, 1,4-dioxan-2-yl;p-Dioxane hydroperoxide;p-Dioxanyl hydroperoxide;SCHEMBL8895005;1,4-DIOXANE-2-PEROXOL;DTXSID30963775;RYQFWBSHDMXCOY-UHFFFAOYSA-N;1,4-Dioxan-2-yl hydroperoxide #

Chemical Property of 1,4-Dioxanyl hydroperoxide

Chemical Property:

• Vapor Pressure: 0.00348mmHg at 25°C
• Boiling Point: 250.3°C at 760 mmHg
• Flash Point: 105.1°C
• PSA: 47.92000
• Density: 1.28g/cm³
• LogP: -0.15110
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 120.04225873
• Heavy Atom Count: 8
• Complexity: 65.1

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC(CO1)OO

Technology Process of 1,4-Dioxanyl hydroperoxide

There total 3 articles about 1,4-Dioxanyl hydroperoxide 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:

1,4-dioxane (123-91-1,28347-88-8,28347-91-3,39449-24-6,54841-74-6) → 1,4-Dioxamyl-2-hydroperoxide (4722-59-2)

Guidance literature:

With oxygen; Irradiation_.UV-Licht;

Reference yield:

1,4-dioxane (123-91-1,28347-88-8,28347-91-3,39449-24-6,54841-74-6) → 1,4-Dioxamyl-2-hydroperoxide (4722-59-2)

Guidance literature:

at 25 ℃; mit UV-Licht_.Irradiation;

Reference yield:

N,N,N',N'-tetramethyl-para-phenylenediamine (100-22-1) + 1,4-dioxanyl-2-peroxyl (119437-68-2) → 1,4-Dioxamyl-2-hydroperoxide (4722-59-2) + peroxy-t-butanol (69515-12-4)

Guidance literature:

With water; Rate constant;

DOI:10.1021/j100347a045

upstream raw materials:

1,4-dioxane

N,N,N',N'-tetramethyl-para-phenylenediamine

1,4-dioxanyl-2-peroxyl

Downstream raw materials:

(2R,3S)-3-(2-Chloro-phenyl)-2-cyano-oxirane-2-carboxylic acid (2-hydroxy-ethoxymethyl)-amide

(R)-3-(2-Chloro-phenyl)-2-cyano-oxirane-2-carboxylic acid amide

(2R,3S)-3-(2-Chloro-phenyl)-2-cyano-oxirane-2-carboxylic acid amide

Refernces

• 1、 Neta, P.,Huie, R. E.,Mosseri, S.,Shastri, L. V.,Mittal, J. P.,et al.. "Rate Constants for Reduction of substituted Methylperoxyl Radicals by Ascorbate Ions and N,N,N',N'-tetramethyl-p-phenylenediamine". . p. 4099 - 4104. Retrieved 2007/10/02.