Heptane, 1-(methoxymethoxy)-

Base Information

• Chemical Name: Heptane, 1-(methoxymethoxy)-
• CAS No.: 71739-40-7
• Molecular Formula: C9H20O2
• Molecular Weight: 160.257
• DSSTox Substance ID: DTXSID60445973
• Nikkaji Number: J2.621.700H
• Wikidata: Q82264526
• Mol file: 71739-40-7.mol

Synonyms:Heptane, 1-(methoxymethoxy)-;71739-40-7;2,4-Dioxaundecane;Heptyl(methoxymethyl) ether;SCHEMBL7034196;DTXSID60445973;UXUAESQHJLEXHL-UHFFFAOYSA-N

Chemical Property of Heptane, 1-(methoxymethoxy)-

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 160.146329876
• Heavy Atom Count: 11
• Complexity: 64.6

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCOCOC

Technology Process of Heptane, 1-(methoxymethoxy)-

There total 1 articles about Heptane, 1-(methoxymethoxy)- 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:

Dimethoxymethane (109-87-5) + ethene (74-85-1) → 1-(methoxymethoxy)propane (71739-38-3) + 1-methoxymethoxy-pentane (71739-39-4) + Methyl formate (107-31-3) + methoxymethyl heptyl ether (71739-40-7)

Guidance literature:

With di-tert-butyl peroxide; at 140 ℃; for 4h; under 30400 - 34200 Torr; Further byproducts given; autoclave;

Reference yield: 94.0%

methoxymethyl heptyl ether (71739-40-7) + tetra-n-butylammonium cyanide (10442-39-4) → caprylnitrile (124-12-9)

Guidance literature:

With phosphotungstic acid; at 130 - 142 ℃; for 0.0333333h; chemoselective reaction; Microwave irradiation; Ionic liquid;

DOI:10.1016/j.crci.2010.03.015

Reference yield: 93.0%

methoxymethyl heptyl ether (71739-40-7) → 1-Iodoheptane (4282-40-0)

Guidance literature:

With phosphotungstic acid; tetra-(n-butyl)ammonium iodide; at 130 - 142 ℃; for 0.0333333h; chemoselective reaction; Microwave irradiation; Ionic liquid;

DOI:10.1016/j.crci.2010.03.015

upstream raw materials:

Dimethoxymethane

ethene

Downstream raw materials:

n-heptan1ol

1-Bromoheptane

1-Iodoheptane

caprylnitrile

Refernces