1,1-Diethoxypentane

Base Information

• Chemical Name: 1,1-Diethoxypentane
• CAS No.: 3658-79-5
• Molecular Formula: C9H20 O2
• Molecular Weight: 160.257
• Hs Code.: 2911000000
• European Community (EC) Number: 222-909-3
• DSSTox Substance ID: DTXSID4063117
• Nikkaji Number: J133.527H
• Wikidata: Q63395786
• Metabolomics Workbench ID: 48182
• Mol file: 3658-79-5.mol

Synonyms:1,1-Diethoxypentane;Pentane, 1,1-diethoxy-;3658-79-5;VALERALDEHYDE-DIETHYLACETAL;Pentanal diethyl acetal;Valeraldehyde, diethyl acetal;EINECS 222-909-3;1,1-diethoxy-pentane;1,1-Diethoxy CPentane;valeraldehyde diethyl acetal;SCHEMBL1760675;DTXSID4063117;CHEBI:178228;MFCD00129693;AKOS006241772;LM-0003;Q63395786;N-(2,6-DIISOPROPYLPHENYL-CARBAMOYLMETHYL)IMINODIACETICACID

Chemical Property of 1,1-Diethoxypentane

Chemical Property:

• Vapor Pressure: 1.94mmHg at 25°C
• Refractive Index: 1.4029
• Boiling Point: 170.6°Cat760mmHg
• Flash Point: 36.5°C
• PSA: 18.46000
• Density: 0.842g/cm³
• LogP: 2.57570
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 160.146329876
• Heavy Atom Count: 11
• Complexity: 68

Purity/Quality:

98%min ^*data from raw suppliers

1,1-Diethoxypentane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(OCC)OCC

Technology Process of 1,1-Diethoxypentane

There total 8 articles about 1,1-Diethoxypentane 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%

2-Ethyl-4,4-diethoxybutanenitrile (73804-93-0) → 1,1-diethoxypentane (3658-79-5)

Guidance literature:

With aluminum oxide; potassium; In hexane; for 0.333333h;

DOI:10.1021/jo01304a016

Reference yield: 77.0%

pentanal (110-62-3) + ethanol (64-17-5) → 1,1-diethoxypentane (3658-79-5)

Guidance literature:

With calcium chloride; for 2h; Inert atmosphere;

DOI:10.1021/ja809851d

Reference yield: 71.0%

pentanal (110-62-3) + orthoformic acid triethyl ester (122-51-0) → 1,1-diethoxypentane (3658-79-5)

Guidance literature:

With ammonium nitrate; In ethanol; for 144h; Ambient temperature;

upstream raw materials:

2-thiophenealdehyde diethyl acetal

n-butyl magnesium bromide

orthoformic acid triethyl ester

pentanal

Downstream raw materials:

1,1,3-triethoxy-heptane

Pentanal-(1)-dibutylacetal

ethyl bromide

2,2-dibromo-pentanal

Refernces

• 1、 Zhang, Qi,Tiefenbacher, Konrad. "Hexameric resorcinarene capsule is a bronsted acid: Investigation and application to synthesis and catalysis". supporting information. p. 16213 - 16219. Retrieved 2013/11/19.
• 2、 Rulev, A. Yu.,Mokov, A. S.,Krivdin, L. B.,Keiko, N. A.,Voronkov, M. G.. "1H and 13C NMR Spectra of 2-Halo-2-alkenals and Their Acetals". . p. 1465 - 1469. Retrieved 2007/10/03.