1-Methoxyhexan-2-one

Base Information

• Chemical Name: 1-Methoxyhexan-2-one
• CAS No.: 57134-36-8
• Molecular Formula: C7H14 O2
• Molecular Weight: 130.187
• European Community (EC) Number: 260-582-9
• DSSTox Substance ID: DTXSID00205770
• Nikkaji Number: J349.094G
• Wikidata: Q83079421
• Mol file: 57134-36-8.mol

Synonyms:1-Methoxyhexan-2-one;57134-36-8;EINECS 260-582-9;1-methoxy-2-hexanone;1-methoxy-hexan-2-one;SCHEMBL297827;DTXSID00205770;AKOS011602571;EN300-82014

Chemical Property of 1-Methoxyhexan-2-one

Chemical Property:

• Vapor Pressure: 0.633mmHg at 25°C
• Boiling Point: 187.4°Cat760mmHg
• Flash Point: 62.7°C
• PSA: 26.30000
• Density: 0.882g/cm³
• LogP: 1.39210
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 130.099379685
• Heavy Atom Count: 9
• Complexity: 79

Purity/Quality:

99% ^*data from raw suppliers

1-methoxyhexan-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)COC

Technology Process of 1-Methoxyhexan-2-one

There total 11 articles about 1-Methoxyhexan-2-one 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: 69.0%

1-methoxy-2-hexanol (80717-20-0) → 1-methoxyhexan-2-one (57134-36-8)

Guidance literature:

With jones reagent; In acetone;

DOI:10.1055/s-2004-831234

Reference yield: 59.0%

N-(1-methoxy-2-propylidene)isopropylamine + propyl bromide (106-94-5) → 1-methoxyhexan-2-one (57134-36-8) + 4-methoxy-5-nonanone (143191-54-2)

Guidance literature:

N-(1-methoxy-2-propylidene)isopropylamine; With lithium diisopropyl amide; In tetrahydrofuran; hexane; at -78 - -20 ℃; for 0.75h; Inert atmosphere;

propyl bromide; In tetrahydrofuran; hexane; at -20 - 20 ℃; for 2h; Inert atmosphere;

With water; oxalic acid; In diethyl ether; for 2h; Reflux;

DOI:10.1039/c0ob00662a

Reference yield: 57.0%

n-butyl magnesium bromide (693-03-8) + Methoxyacetyl chloride (38870-89-2) → 1-methoxyhexan-2-one (57134-36-8)

Guidance literature:

n-butyl magnesium bromide; With manganese(II) iodide; In diethyl ether; at 0 - 20 ℃; for 0.5h;

Methoxyacetyl chloride; In diethyl ether; at -60 - 20 ℃;

DOI:10.1055/s-2004-831234

upstream raw materials:

n-butyl magnesium bromide

2-methoxyacetonitrile

2-hexynyl methyl ether

tributyl borane

Downstream raw materials:

1-methoxy-hexan-2-one-(2,4-dinitro-phenylhydrazone)

1-methoxy-hexan-2-one 2-[(3-methoxy-1-methoxymethyl-propylidene)-hydrazone]

N-[3-(methoxymethyl)hept-1-yn-3-yl]-4-methylaniline

N-[3-(methoxymethyl)hept-1-yn-3-yl]-4-methoxyaniline