1-Methoxypentane

Base Information

• Chemical Name: 1-Methoxypentane
• CAS No.: 628-80-8
• Molecular Formula: C6H14O
• Molecular Weight: 102.177
• DSSTox Substance ID: DTXSID40211890
• Nikkaji Number: J45.674H
• Wikidata: Q3333703
• Mol file: 628-80-8.mol

Synonyms:1-Methoxypentane;Methyl pentyl ether;Ether, methyl pentyl;Amyl methyl ether;Butane, methoxymethyl-;628-80-8;Pentane, 1-methoxy-;Methyl amyl ether;Pentyl methyl ether;n-Amyl methyl ether;BRN 1731334;67412-13-9;1-methoxy-pentane;methyl n-pentyl ether;n-C5H11OCH3;SCHEMBL57335;DTXSID40211890;AKOS006230257;LS-67867;Q3333703

Chemical Property of 1-Methoxypentane

Chemical Property:

• Vapor Pressure: 44mmHg at 25°C
• Boiling Point: 99.4°C at 760 mmHg
• Flash Point: 4.5°C
• PSA: 9.23000
• Density: 0.762g/cm³
• LogP: 1.82300
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 102.104465066
• Heavy Atom Count: 7
• Complexity: 27.4

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Ethers (
• Canonical SMILES: CCCCCOC

Technology Process of 1-Methoxypentane

There total 22 articles about 1-Methoxypentane 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: 98.0%

methanol (67-56-1) + 1-(phenylselenonyl)pentane → 1-methoxypentane (628-80-8)

Guidance literature:

With toluene-4-sulfonic acid; at 60 ℃; for 1h;

DOI:10.1021/jo00131a018

Reference yield: 82.0%

methanol (67-56-1) + 1-Chloropentane (543-59-9) → 1-methoxypentane (628-80-8)

Guidance literature:

With sodium hydroxide; cetyltrimethylammonim bromide; In water; at 70 ℃;

DOI:10.1016/S0040-4020(01)90106-1

Reference yield: 69.7%

pentan-1-ol (71-41-0) + carbonic acid dimethyl ester (616-38-6) → 1-methoxypentane (628-80-8)

Guidance literature:

With carbon dioxide; at 267 ℃; under 87008.7 Torr;

DOI:10.1002/anie.201100412

upstream raw materials:

1,5-dimethoxypent-2-yne

n-butyl magnesium bromide

chloromethyl methyl ether

sodium pentanolate

Downstream raw materials:

diethyl ether

1-Bromopentane

chloroform

acetic acid methyl ester

Refernces

• 1、 McMillan, Alastair J.,Sieńkowska, Martyna,Di Lorenzo, Piero,Gransbury, Gemma K.,Chilton, Nicholas F.,Salamone, Michela,Ruffoni, Alessandro,Bietti, Massimo,Leonori, Daniele. "Practical and Selective sp3 C?H Bond Chlorination via Aminium Radicals". supporting information. p. 7132 - 7139. Retrieved 2021/03/03.
• 2、 Khusnutdinov,Shchadneva,Mayakova. "Synthesis of alkyl methyl ethers and alkyl methyl carbonates by reaction of alcohols with dimethyl carbonate in the presence of tungsten and cobalt complexes". . p. 790 - 795. Retrieved 2014/08/18.