1-Methoxy-3-methylene-2-pentanone

Base Information

• Chemical Name: 1-Methoxy-3-methylene-2-pentanone
• CAS No.: 55956-45-1
• Molecular Formula: C7H12O2
• Molecular Weight: 128.171
• UNII: 8VZ3ZJD95E
• DSSTox Substance ID: DTXSID80971365
• Metabolomics Workbench ID: 44332
• Nikkaji Number: J113.188E
• Mol file: 55956-45-1.mol

Synonyms:1-Methoxy-3-methylene-2-pentanone;55956-45-1;1-methoxy-3-methylidenepentan-2-one;2-Pentanone, 1-methoxy-3-methylene-;8VZ3ZJD95E;DTXSID80971365;CHEBI:173487;PEPJPZZZBHWOCM-UHFFFAOYSA-N;3-Ethyl-1-methoxy-3-buten-2-one;1-Methoxy-3-methylidene-pentan-2-one

Chemical Property of 1-Methoxy-3-methylene-2-pentanone

Chemical Property:

• Boiling Point: 161.3±23.0 °C(Predicted)
• PSA: 26.30000
• Density: 0.899±0.06 g/cm3(Predicted)
• LogP: 1.16810
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 128.083729621
• Heavy Atom Count: 9
• Complexity: 116

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=C)C(=O)COC

Technology Process of 1-Methoxy-3-methylene-2-pentanone

There total 1 articles about 1-Methoxy-3-methylene-2-pentanone 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: 13.0%

3-methyl-1,2-pentadiene (7417-48-3) → 1-methoxypent-1-en-3-one (65648-57-9) + methyl methoxyacetate (6290-49-9) + 2-Methoxy-2-methyl-buttersaeure-methylester (53365-70-1) + 1-Methoxy-3-methylene-pentan-2-one (55956-45-1)

Guidance literature:

With lithium perchlorate; In methanol; Title compound not separated from byproducts; electrochemical oxidation, 1.8 V;

DOI:10.1016/0040-4020(82)80146-4

upstream raw materials:

3-methyl-1,2-pentadiene