1,1-Dimethoxy-4-methylpentan-3-one

Base Information

• Chemical Name: 1,1-Dimethoxy-4-methylpentan-3-one
• CAS No.: 66480-84-0
• Molecular Formula: C8H16O3
• Molecular Weight: 160.21100
• European Community (EC) Number: 858-392-1

Synonyms:1,1-dimethoxy-4-methylpentan-3-one;66480-84-0;SCHEMBL2350875;MFCD18064598;AKOS005174607;LS-04719;CS-0237123;EN300-178264

Chemical Property of 1,1-Dimethoxy-4-methylpentan-3-one

Chemical Property:

• Boiling Point: 60 °C(Press: 4.8 Torr)
• PSA: 35.53000
• Density: 0.935±0.06 g/cm3(Predicted)
• LogP: 1.22050
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 160.109944368
• Heavy Atom Count: 11
• Complexity: 117

Purity/Quality:

98%min ^*data from raw suppliers

1,1-dimethoxy-4-methylpentan-3-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=O)CC(OC)OC

Technology Process of 1,1-Dimethoxy-4-methylpentan-3-one

There total 4 articles about 1,1-Dimethoxy-4-methylpentan-3-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:

2-(trimethylsilyloxy)-3-methyl-1-butene (17510-45-1) + trimethyl orthoformate (149-73-5) → 1,1-dimethoxy-4-methylpentan-3-one (66480-84-0)

Guidance literature:

With boron trifluoride diethyl etherate; methyllithium; In diethyl ether; at -78 ℃;

DOI:10.1016/S0040-4039(01)02249-3

Reference yield:

3-methyl-butan-2-one (563-80-4) + Methyl formate (107-31-3) + sodium methylate (124-41-4) → 1,1-dimethoxy-4-methylpentan-3-one (66480-84-0)

Guidance literature:

With diethyl ether; anschliessend mit Chlorwasserstoff enthaltendem Methanol;

DOI:10.1021/ja01105a008

Reference yield:

3-methyl-butan-2-one (563-80-4) → 1,1-dimethoxy-4-methylpentan-3-one (66480-84-0)

Guidance literature:

Multi-step reaction with 2 steps

1: LDA / tetrahydrofuran / -78 °C

2: MeLi; BF₃*OEt₂ / diethyl ether / -78 °C

With boron trifluoride diethyl etherate; methyllithium; lithium diisopropyl amide; In tetrahydrofuran; diethyl ether;

DOI:10.1016/S0040-4039(01)02249-3

upstream raw materials:

3-methyl-butan-2-one

Methyl formate

sodium methylate

2-(trimethylsilyloxy)-3-methyl-1-butene

Downstream raw materials:

4-methyl-3-oxopentanal

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