1,3-Dimethoxypropane

Base Information

• Chemical Name: 1,3-Dimethoxypropane
• CAS No.: 17081-21-9
• Molecular Formula: C5H12O2
• Molecular Weight: 104.149
• Hs Code.: 2909199090
• European Community (EC) Number: 813-420-1
• DSSTox Substance ID: DTXSID40168951
• Nikkaji Number: J47.774E
• Wikidata: Q63395315
• Mol file: 17081-21-9.mol

Synonyms:1,3-Dimethoxypropane;17081-21-9;Propane, 1,3-dimethoxy-;Trimethylene glycol dimethyl ether;SCHEMBL5522;CH3O(CH2)3OCH3;SCHEMBL13313135;SCHEMBL13341301;DTXSID40168951;UUAMLBIYJDPGFU-UHFFFAOYSA-N;AKOS006274921;1,3-dimetho1,3-Dimethoxypropanexypropane;AS-58055;FT-0696550;D87951;EN300-1717039;A811244;Q63395315;B0052-014307

Chemical Property of 1,3-Dimethoxypropane

Chemical Property:

• Vapor Pressure: 39.3mmHg at 25°C
• Melting Point: -82 °C
• Refractive Index: 1.38
• Boiling Point: 102.2 °C at 760 mmHg
• Flash Point: 7.8 °C
• PSA: 18.46000
• Density: 0.841 g/cm³
• LogP: 0.66930
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 104.083729621
• Heavy Atom Count: 7
• Complexity: 25.3

Purity/Quality:

99.5% ^*data from raw suppliers

1,3-DIMETHOXYPROPANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCCCOC

Technology Process of 1,3-Dimethoxypropane

There total 17 articles about 1,3-Dimethoxypropane 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: 63.0%

carbonic acid dimethyl ester (616-38-6) + trimethyleneglycol (504-63-2) → 1,3-dimethoxy propane (17081-21-9) + methyl 3-methoxypropyl carbonate

Guidance literature:

With tungsten hexacarbonyl; at 180 ℃; for 1h;

DOI:10.1134/S1070428014070057

Reference yield: 27.7%

methyl iodide (74-88-4) + trimethyleneglycol (504-63-2) → 1,3-dimethoxy propane (17081-21-9)

Guidance literature:

With sodium hydride; In diethyl ether; for 8h; Heating;

DOI:10.1021/jo00027a014

Reference yield:

methoxypropanol (1589-49-7) → 1,3-dimethoxy propane (17081-21-9) + trimethyleneglycol (504-63-2)

Guidance literature:

With water; sulfuric acid; at 220 ℃; for 10h; Product distribution / selectivity;

upstream raw materials:

diazomethane

trimethyleneglycol

dimethyl sulfate

trimethylene oxide

Downstream raw materials:

methylallylether

1-Heptene

3,4-O-isopropylidine L-arabinopyranose

(+)-dimethyl-2,3-O-isopropylidene-D-tartrate

Refernces

• 1、 Gooden, Peter N.,Bourne, Richard A.,Parrott, Andrew J.,Bevinakatti, Han S.,Irvine, Derek J.,Poliakoff, Martyn. "Continuous acid-catalyzed methylations in supercritical carbon dioxide: Comparison of methanol dimethyl ether and dimethyl carbonate as methylating agents". experimental part. p. 411 - 416. Retrieved 2011/04/22.
• 2、 -. "PRODUCTION PROCESS OF 3-ALKOXY-1-PROPANOLS, AND 3-ALKOXY-1-PROPANOLS OBTAINED BY THE PRODUCTION PROCESS". Page/Page column 64-65. . Retrieved 2008/06/13.