Methoxyacetone

Base Information

• Chemical Name: Methoxyacetone
• CAS No.: 5878-19-3
• Molecular Formula: C4H8O2
• Molecular Weight: 88.1063
• Hs Code.: 29145090
• European Community (EC) Number: 227-549-0
• UNII: ZHQ6G2H7L3
• DSSTox Substance ID: DTXSID0064048
• Nikkaji Number: J69.882B
• Wikidata: Q54347164
• Mol file: 5878-19-3.mol

Synonyms:Methoxyacetone;5878-19-3;1-methoxypropan-2-one;Methoxy-2-propanone;2-PROPANONE, 1-METHOXY-;1-Methoxy-2-propanone;1-Methoxyacetone;methoxyaceton;Methoxymethyl methyl ketone;BRN 1560175;1-Methoxy-propan-2-one;EINECS 227-549-0;ZHQ6G2H7L3;AI3-37789;methoxy acetone;MFCD00008768;Methoxyacetone, 95%;CH3COCH2OCH3;UNII-ZHQ6G2H7L3;1-(methyloxy)-2-propanone;.ALPHA.-METHOXYACETONE;DTXSID0064048;AKOS009158556;LS-123086;FT-0628306;M0906;EN300-64176;D91400;A904796;Q54347164;F0001-1536

Chemical Property of Methoxyacetone

Chemical Property:

• Appearance/Colour: Clear pale yellow to yellow liquid
• Vapor Pressure: 16.3mmHg at 25°C
• Melting Point: 78C
• Refractive Index: n20/D 1.397(lit.)
• Boiling Point: 118.9 °C at 760 mmHg
• Flash Point: 25 °C
• PSA: 26.30000
• Density: 0.898 g/cm³
• LogP: 0.22180
• Storage Temp.: Flammables area
• Water Solubility.: miscible
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 88.052429494
• Heavy Atom Count: 6
• Complexity: 49.5

Purity/Quality:

98% ^*data from raw suppliers

Methoxyacetone >96.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R10:
• Hazard Codes: Xi,F
• Statements: 10
• Safety Statements: 16-29-33

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)COC
• Uses: Methoxyacetone is used in the bio-amination of ketones in organic solvents. Methoxyacetone was used in the synthesis of doubly borylated enolates.

Technology Process of Methoxyacetone

There total 46 articles about Methoxyacetone 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: 99.4%

1-methoxy-2-propanol (107-98-2) → Methoxyacetone (5878-19-3)

Guidance literature:

Reference yield: 50.0%

thioacetic acid ethyl ester → Methoxyacetone (5878-19-3) + diphenyldisulfane (882-33-7)

Guidance literature:

With N-nitrosoacetanilide; In acetone; at 20 ℃; for 20h; Product distribution;

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + Methyl formate (107-31-3) → methoxyoxirane (57346-02-8) + glycidyl methyl ether (930-37-0) + Methoxyacetone (5878-19-3) + 2,4-dimethoxy-1,3-dioxacyclopentane

Guidance literature:

at -15 - 20 ℃; for 1.5h; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts; Irradiation;

upstream raw materials:

methyl magnesium iodide

2-methoxyacetonitrile

1-methoxy-2-propanol

methyllithium

Downstream raw materials:

2-(2-Chlor-benzyl)-1-methoxy-propan-2-ol

3-methylisoquinolone

1-Methoxy-2-methylpropan-2-ol

chloroform

Refernces

• 1、 Shan, Jinhuan,Liu, Yanping,Zhang, Jiying. "Kinetics and mechanism of oxidation of 1-methoxy-2-propanol and 1-ethoxy-2-propanol by Ditelluratocuprate(III) in alkaline medium". . p. 639 - 642. Retrieved 2011.
• 2、 -. "Method for preparing methoxyacetone by using micro reaction device". Paragraph 0028-0048. . Retrieved 2020/09/09.
• 3、 -. "Method of synthesizing methoxyacetone through catalytic oxidation". Paragraph 0021-0025; 0027; 0030; 0033; 0036; 0039. . Retrieved 2017/12/29.