1,3-Dioxane

Base Information

• Chemical Name: 1,3-Dioxane
• CAS No.: 505-22-6
• Molecular Formula: C4H8 O2
• Molecular Weight: 88.1063
• Hs Code.: 2934999090
• European Community (EC) Number: 208-005-1
• NSC Number: 139436
• UN Number: 1165
• UNII: B2C8M17I09
• DSSTox Substance ID: DTXSID3025174
• Nikkaji Number: J6.221I
• Wikipedia: 1,3-Dioxane
• Wikidata: Q4545677
• Metabolomics Workbench ID: 56734
• Mol file: 505-22-6.mol

Synonyms:1,3-DIOXANE;505-22-6;m-Dioxane;1,3-Dioxacyclohexane;1,3-Propanediol formal;meta-Dioxane;m-Dioxin, dihydro-;Trimethylene glycol methylene ether;HSDB 4263;dihydro-m-dioxin;CCRIS 5911;EINECS 208-005-1;NSC 139436;UNII-B2C8M17I09;B2C8M17I09;2,4-dioxane;NSC-139436;1-5-dioxane;2,6-dioxane;1,3-dioxan;B-1,3-dioxane;C1COCOC1;1,3-Dioxane, 97%;1,3-DIOXANE [HSDB];DTXSID3025174;CHEBI:46924;LS-147;MFCD00006566;NSC139436;AKOS015856097;CS-0331949;D0859;FT-0606704;D89730;EN300-223073;Q4545677;1,3-DIOXANE (SEE ALSO: 1,4-DIOXANE (CAS 123-91-1))

Chemical Property of 1,3-Dioxane

Chemical Property:

• Vapor Pressure: 34.3mmHg at 25°C
• Melting Point: -42℃
• Refractive Index: n20/D 1.418(lit.)
• Boiling Point: 105℃
• Flash Point: 59 °F
• PSA: 18.46000
• Density: 1.0342
• LogP: 0.38080
• Storage Temp.: Flammables area
• Water Solubility.: Fully miscible in water.
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 88.052429494
• Heavy Atom Count: 6
• Complexity: 32.5
• Transport DOT Label: Flammable Liquid

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,3-Dioxane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xn
• Hazard Codes: F,Xn
• Statements: 11-20/21/22
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Plastics & Rubber -> Other Monomers
• Canonical SMILES: C1COCOC1
• Uses: 1,3-Dioxane has been employed as solvent in the synthesis of 8- and 9-membered dioxazocines and dioxazonines.

Technology Process of 1,3-Dioxane

There total 25 articles about 1,3-Dioxane 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: 99.0%

trimethyleneglycol (504-63-2) → 1,3-dioxane (505-22-6)

Guidance literature:

With bismuth(lll) trifluoromethanesulfonate; In 1,4-dioxane; at 40 ℃; for 0.5h; Reagent/catalyst; Temperature; Time; Sealed tube; Sonication;

Reference yield: 78.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + trimethyleneglycol (504-63-2) → 1,3-dioxane (505-22-6)

Guidance literature:

With toluene-4-sulfonic acid; In chloroform; Heating;

DOI:10.1007/BF00763384

Reference yield: 64.0%

dimethyl sulfoxide (67-68-5,8070-53-9) + trimethyleneglycol (504-63-2) → 1,3-dioxane (505-22-6)

Guidance literature:

With tris(2,2'-bipyridyl)ruthenium dichloride; Bromotrichloromethane; at 26.84 ℃; for 6.5h; UV-irradiation;

DOI:10.1039/c9nj03422f

upstream raw materials:

hexamethylenetetramine

trimethyleneglycol

formaldehyd

[1,3,5,7,2,6]tetroxadithiocane 2,2,6,6-tetraoxide

Downstream raw materials:

(n-pr)3Si(Ome)

1-methoxy-3-(triethylsiloxy)-propane

4-(1,3-dioxane-2-yl)quinaldine

4-(1,3-dioxane-4-yl)quinaldine

Refernces

• 1、 Beydoun, Kassem,Klankermayer, Jürgen. "Efficient Plastic Waste Recycling to Value-Added Products by Integrated Biomass Processing". . p. 488 - 492. Retrieved 2020/01/24.
• 2、 Talukdar, Ranadeep. "Dimethyl sulfoxide as a "methylene" source: Ru(ii) photo-catalysed facile synthesis of acetals from alcohols". supporting information. p. 13334 - 13338. Retrieved 2019/09/06.