1-Methoxyheptane

Base Information

• Chemical Name: 1-Methoxyheptane
• CAS No.: 629-32-3
• Molecular Formula: C8H18O
• Molecular Weight: 130.23
• DSSTox Substance ID: DTXSID90334841
• Nikkaji Number: J96.142F
• Wikidata: Q3333698
• Mol file: 629-32-3.mol

Synonyms:1-methoxyheptane;629-32-3;Methylheptyl ether;1-methoxy-heptane;Methyl-heptyl-ather;SCHEMBL65783;DTXSID90334841;AKOS006230259;LS-191707;Q3333698

Chemical Property of 1-Methoxyheptane

Chemical Property:

• Vapor Pressure: 4.87mmHg at 25°C
• Melting Point: -94°C (estimate)
• Refractive Index: 1.404
• Boiling Point: 150.5°C at 760 mmHg
• Flash Point: 35.8°C
• PSA: 9.23000
• Density: 0.78g/cm³
• LogP: 2.60320
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 130.135765193
• Heavy Atom Count: 9
• Complexity: 43.8

Purity/Quality:

1-METHOXYHEPTANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCOC

Technology Process of 1-Methoxyheptane

There total 4 articles about 1-Methoxyheptane 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-Bromoheptane (629-04-9) + sodium methylate (124-41-4) → 1-Heptene (592-76-7) + 1-methoxyheptane (629-32-3)

Guidance literature:

In dimethyl sulfoxide; at 50 ℃; Solvent; Temperature; Kinetics;

DOI:10.1016/j.jfluchem.2011.10.008

Reference yield:

trihexylaluminium (1116-73-0) + chloromethyl methyl ether (107-30-2) → hexane (110-54-3) + 1-methoxyheptane (629-32-3)

Guidance literature:

In 1,4-dioxane; at 90 ℃; for 2h; further solvent;

DOI:10.1007/BF00957441

Reference yield:

di(n-hexyl)aluminum chloride (2674-15-9) + chloromethyl methyl ether (107-30-2) → hexane (110-54-3) + 1-methoxyheptane (629-32-3)

Guidance literature:

In 1,4-dioxane; at 60 ℃; for 5h;

DOI:10.1007/BF00957441

upstream raw materials:

trihexylaluminium

chloromethyl methyl ether

di(n-hexyl)aluminum chloride

Li⁽¹⁺⁾*[Al((CH₂)5CH₃)4]^(1-) = Li[Al((CH₂)5CH₃)4]

Refernces

• 1、 Kuchin, A. V.,Markova, S. A.,Tolstikov, G. A.. "SUBSTITUTION REACTIONS WITH THE PARTICIPATION OF ORGANOALUMINUM COMPOUNDS. 7. REACTION OF ORGANOALUMINUM COMPOUNDS WITH MONOCHLORODIMETHYL ETHER". . p. 344 - 346. Retrieved 2007/10/02.