Hexanal, 2-ethyl-5-oxo-

Base Information

• Chemical Name: Hexanal, 2-ethyl-5-oxo-
• CAS No.: 35650-55-6
• Molecular Formula: C8H14O2
• Molecular Weight: 142.198
• DSSTox Substance ID: DTXSID50450738
• Nikkaji Number: J601.215I
• Mol file: 35650-55-6.mol

Synonyms:Hexanal, 2-ethyl-5-oxo-;2-ETHYL-5-OXOHEXANAL;35650-55-6;SCHEMBL15187861;DTXSID50450738

Chemical Property of Hexanal, 2-ethyl-5-oxo-

Chemical Property:

• PSA: 34.14000
• LogP: 1.58070
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 142.099379685
• Heavy Atom Count: 10
• Complexity: 118

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CCC(=O)C)C=O

Technology Process of Hexanal, 2-ethyl-5-oxo-

There total 5 articles about Hexanal, 2-ethyl-5-oxo- 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: 88.0%

methyl vinyl ketone (78-94-4,25038-87-3) + butyraldehyde (123-72-8) → 2-ethyl-5-oxo-hexanal (35650-55-6,553638-75-8)

Guidance literature:

With N-methyl-3-aminopropylated FSM-16 mesoporous silica; In toluene; Heating;

DOI:10.1039/b202488h

Reference yield: 85.0%

1-(trimethylsiloxy)but-1-ene (6651-33-8) + methyl vinyl ketone (78-94-4,25038-87-3) → 2-ethyl-5-oxo-hexanal (35650-55-6,553638-75-8)

Guidance literature:

With zinc(II) chloride; at 0 ℃; for 2h; on acidic alumina;

DOI:10.1016/S0040-4039(00)91983-X

Reference yield: 48.0%

1-(trimethylsiloxy)but-1-ene (6651-33-8) + trans-3-methoxybut-2-en-1-ol (67935-23-3) → 2-ethyl-5-oxo-hexanal (35650-55-6,553638-75-8)

Guidance literature:

With boron trifluoride diethyl etherate; In diethyl ether; dichloromethane; at -78 ℃; for 3h;

DOI:10.1016/S0040-4020(01)82058-5

upstream raw materials:

N-(1-buten-1-yl)piperidine

methyl vinyl ketone

1-(trimethylsiloxy)but-1-ene

trans-3-methoxybut-2-en-1-ol

Downstream raw materials:

mono-(2-ethyl-5-(tert-butyldiphenylsilyloxy)hexyl)phthalate

1-(tert-butyldimethylsilyloxy)-2-ethyl-5-(tert-butyldiphenylsilyloxy)hexane

5-(tert-butyldiphenylsilyloxy)-2-ethyl-hexane-1-ol

mono(2-ethyl-5-hydroxyhexyl) 1,2-benzenedicarboxylate