1,3-Dimethoxypropan-2-one

Base Information

• Chemical Name: 1,3-Dimethoxypropan-2-one
• CAS No.: 18664-32-9
• Molecular Formula: C5H10 O3
• Molecular Weight: 118.133
• Hs Code.: 2914509090
• European Community (EC) Number: 848-209-3
• DSSTox Substance ID: DTXSID50363551
• Nikkaji Number: J1.744.812I
• Wikidata: Q82147285
• Mol file: 18664-32-9.mol

Synonyms:1,3-dimethoxypropan-2-one;18664-32-9;1,3-Dimethoxyacetone;1,3-dimethoxy-2-propanone;2-Propanone, 1,3-dimethoxy-;MFCD00270306;methoxymethyl ketone;SCHEMBL626926;DTXSID50363551;1,3-dimethoxyacetone, AldrichCPR;AKOS006342994;CS-W007070;DS-4682;SY110586;EN300-88341;A880624

Chemical Property of 1,3-Dimethoxypropan-2-one

Chemical Property:

• Vapor Pressure: 2.14mmHg at 25°C
• Refractive Index: 1.391
• Boiling Point: 162.7°Cat760mmHg
• Flash Point: 42.1°C
• PSA: 35.53000
• Density: 0.976g/cm³
• LogP: -0.15170
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 118.062994177
• Heavy Atom Count: 8
• Complexity: 62.1

Purity/Quality:

97% ^*data from raw suppliers

1,3-Dimethoxypropan-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R11:
• Hazard Codes: Xn
• Statements: 11-22
• Safety Statements: 9-16-33

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCC(=O)COC

Technology Process of 1,3-Dimethoxypropan-2-one

There total 13 articles about 1,3-Dimethoxypropan-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: 72.0%

1,3-dimethyl glycerol ether (623-69-8) → 1,3-dimethoxypropan-2-one (18664-32-9)

Guidance literature:

With 2,2,6,6-tetramethyl-piperidine-N-oxyl; sodium hypochlorite; free radical; sodium hydrogencarbonate; sodium bromide; In dichloromethane; for 0.166667h;

DOI:10.1021/jm960270l

Reference yield:

3,5-dimethoxy-4-oxo-4H-pyran-2-carboxylic acid methyl ester + water (7732-18-5) → formic acid (64-18-6) + 1,3-dimethoxypropan-2-one (18664-32-9) + oxalic acid (144-62-7,97993-78-7)

Guidance literature:

Reference yield:

methyl 2,4-dimethoxyacetoacetate (130895-62-4) → 1,3-dimethoxypropan-2-one (18664-32-9)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01179a012 DOI:10.1021/ja01871a060

upstream raw materials:

1,3-dimethyl glycerol ether

methyl 2,4-dimethoxyacetoacetate

1,3-dimethoxy-propane-2,2-diol

3-(2-methoxy-1-methoxymethyl-ethoxy)-propene

Downstream raw materials:

3-(methoxymethyl)oxetan-3-ol

2,4,6-trioxabicyclo<3.2.0>heptan-3-one

4-acetyl-5-phenyl-1,3-dioxolan-2-one

Pyruvic aldehyde dimethyl acetal