4,4-Dimethoxybut-3-en-2-one

Base Information

• Chemical Name: 4,4-Dimethoxybut-3-en-2-one
• CAS No.: 50473-61-5
• Molecular Formula: C6H10O3
• Molecular Weight: 130.144
• DSSTox Substance ID: DTXSID10492230
• Nikkaji Number: J456.018C
• Mol file: 50473-61-5.mol

Synonyms:4,4-Dimethoxybut-3-en-2-one;50473-61-5;3-Buten-2-one, 4,4-dimethoxy-;SCHEMBL4637695;DTXSID10492230;A50819

Chemical Property of 4,4-Dimethoxybut-3-en-2-one

Chemical Property:

• Boiling Point: 116-117 °C(Press: 12 Torr)
• PSA: 35.53000
• Density: 0.994±0.06 g/cm3(Predicted)
• LogP: 0.70960
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 130.062994177
• Heavy Atom Count: 9
• Complexity: 120

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C=C(OC)OC

Technology Process of 4,4-Dimethoxybut-3-en-2-one

There total 3 articles about 4,4-Dimethoxybut-3-en-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: 44.0%

4,4,4-trimethoxybutan-2-one (61539-56-8) → 4,4-dimethoxy-3-buten-2-one (50473-61-5)

Guidance literature:

at 160 ℃; for 5h;

DOI:10.1016/S0040-4020(03)00291-6

Reference yield:

1,1-dimethoxyethylene (922-69-0) + acetic anhydride (108-24-7) → 4,4-dimethoxy-3-buten-2-one (50473-61-5)

Guidance literature:

at 110 ℃; for 0.5h; Microwave irradiation; Neat (no solvent);

DOI:10.1016/j.tet.2012.02.057

Reference yield:

4,4-dichlorobut-3-en-2-one (5780-61-0) + sodium methylate (124-41-4) → 4,4-dimethoxy-3-buten-2-one (50473-61-5)

Guidance literature:

In methanol;

upstream raw materials:

4,4-dichlorobut-3-en-2-one

sodium methylate

4,4,4-trimethoxybutan-2-one

1,1-dimethoxyethylene

Downstream raw materials:

2,2-Dimethoxy-6-phenyl-2,3-dihydro-pyran-4-one

dimethyl 5-acetyl-4-methoxy-1,2-diazine-3,6-dicarboxylate

methyl 6-benzyloxy-5-hydroxy-3-oxodecanoate

1,1-dimethoxy-3-trimethylsilyloxy-1,3-butadiene