1-Methoxypent-1-en-3-one

Base Information

• Chemical Name: 1-Methoxypent-1-en-3-one
• CAS No.: 65648-57-9
• Molecular Formula: C6H10O2
• Molecular Weight: 114.144
• DSSTox Substance ID: DTXSID60571145
• Mol file: 65648-57-9.mol

Synonyms:1-methoxypent-1-en-3-one;65648-57-9;DTXSID60571145;QOHMGJABWHDJCY-UHFFFAOYSA-N

Chemical Property of 1-Methoxypent-1-en-3-one

Chemical Property:

• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 114.068079557
• Heavy Atom Count: 8
• Complexity: 94.7

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C=COC

Technology Process of 1-Methoxypent-1-en-3-one

There total 1 articles about 1-Methoxypent-1-en-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: 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

Reference yield:

1-methoxypent-1-en-3-one (65648-57-9) + 1,3-bis(trimethylsiloxy)-1-methoxypenta-1,3-diene (78133-88-7) → C11H14O3 (1189819-95-1) + 6-ethyl-2-hydroxy-3-methylbenzoic acid methyl ester (1189819-94-0)

Guidance literature:

1-methoxypent-1-en-3-one; 1,3-bis(trimethylsiloxy)-1-methoxypenta-1,3-diene; With titanium tetrachloride; In dichloromethane; at -78 - 20 ℃; for 14h; Inert atmosphere;

With hydrogenchloride; water; In dichloromethane; regioselective reaction; Inert atmosphere;

DOI:10.1055/s-0029-1216814

upstream raw materials:

3-methyl-1,2-pentadiene

Downstream raw materials:

C₁₁H₁₄O₃

6-ethyl-2-hydroxy-3-methylbenzoic acid methyl ester