5,5-Diethoxypentanal

Base Information

• Chemical Name: 5,5-Diethoxypentanal
• CAS No.: 79893-96-2
• Molecular Formula: C9H18 O3
• Molecular Weight: 174.24
• DSSTox Substance ID: DTXSID30454592
• Nikkaji Number: J945.180C
• Wikidata: Q82276200
• Mol file: 79893-96-2.mol

Synonyms:5,5-diethoxypentanal;79893-96-2;Pentanal, 5,5-diethoxy-;SCHEMBL2853062;glutaraldehyde diethyl monoacetal;DTXSID30454592;AKOS006329452;FT-0666719;EN300-1738087

Chemical Property of 5,5-Diethoxypentanal

Chemical Property:

• PSA: 35.53000
• LogP: 1.75470
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 174.125594432
• Heavy Atom Count: 12
• Complexity: 97.9

Purity/Quality:

98.5% ^*data from raw suppliers

5,5-Diethoxypentanal ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(CCCC=O)OCC
• Uses: 5,5-Diethoxypentanal (cas# 79893-96-2) is a compound useful in organic synthesis.

Technology Process of 5,5-Diethoxypentanal

There total 4 articles about 5,5-Diethoxypentanal 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: 100.0%

diethyl monoacetal of glutaconaldehyde (16917-50-3) → 5,5-diethoxypentanal (79893-96-2)

Guidance literature:

With hydrogen;

DOI:10.1007/BF00948516

Reference yield: 13.0%

ethanol (64-17-5) + Glutaraldehyde (111-30-8,29257-65-6,79215-57-9) → 5,5-diethoxypentanal (79893-96-2)

Guidance literature:

With Dowex 50WX₈ H(+)-form; In water; at 20 ℃; for 96h;

DOI:10.1021/jo00122a052

Reference yield: 10.0%

ethanol (64-17-5) + Glutaraldehyde (111-30-8,29257-65-6,79215-57-9) → diethoxy-2,6 tetrahydropyranne (3149-12-0) + 1,1,5,5-tetraethoxypentane (4454-01-7) + 5,5-diethoxypentanal (79893-96-2)

Guidance literature:

With Amberlyst 15 ion-exchange resin; In solvent; at 20 ℃; for 18h;

DOI:10.1039/b926786g

upstream raw materials:

3-butenal 1,1-diethylacetal

carbon monoxide

diethyl monoacetal of glutaconaldehyde

ethanol

Downstream raw materials:

1,1-diethoxypentan-5-ol

(Z)-5-decenyl acetate

1-acetoxy-(Z)-7-tetradecene

(Z)-tetradec-7-en-1-ol

Refernces

• 1、 Salame, Rim,Gravel, Edmond,Retailleau, Pascal,Poupon, Erwan. "Biomimetically relevant self-condensations of C5 units derived from lysine". experimental part. p. 2522 - 2528. Retrieved 2010/07/05.
• 2、 Cuny, Gregory D.,Buchwald, Stephen L.. "Practical, High-Yield, Regioselective, Rhodium-Catalyzed Hydroformylation of Functionalized α-Olefins". . p. 2066 - 2068. Retrieved 2007/10/02.