1,1-Diethoxyheptane

Base Information

• Chemical Name: 1,1-Diethoxyheptane
• CAS No.: 688-82-4
• Molecular Formula: C11H24O2
• Molecular Weight: 188.31
• Hs Code.: 2911000000
• European Community (EC) Number: 211-707-0
• DSSTox Substance ID: DTXSID9060996
• Nikkaji Number: J103.784F
• Wikidata: Q63395220
• Mol file: 688-82-4.mol

Synonyms:1,1-Diethoxyheptane;Heptanal-diethylacetal;688-82-4;Heptane, 1,1-diethoxy-;Heptanal, diethyl acetal;EINECS 211-707-0;heptanal diethyl acetal;1,1 - diethoxyheptane;n-Heptanal diethyl acetal;Heptano, 1,1-dietoxi-;Heptaldehyde diethyl acetal;enanthaldehyde diethyl acetal;SCHEMBL113618;DTXSID9060996;MFCD00672775;AKOS006243256;FT-0626919;Q63395220

Chemical Property of 1,1-Diethoxyheptane

Chemical Property:

• Vapor Pressure: 0.336mmHg at 25°C
• Melting Point: 75-76oC
• Refractive Index: 1.419
• Boiling Point: 206.7 °C at 760 mmHg
• Flash Point: 50.4 °C
• PSA: 18.46000
• Density: 0.843 g/cm³
• LogP: 3.35590
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 188.177630004
• Heavy Atom Count: 13
• Complexity: 88.1

Purity/Quality:

99% ^*data from raw suppliers

1,1-Diethoxyheptane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(OCC)OCC

Technology Process of 1,1-Diethoxyheptane

There total 8 articles about 1,1-Diethoxyheptane 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: 84.0%

Cl-Mo(O)=CH2 (84809-63-2) + salicylaldehyde (90-02-8) → 1,1-diethoxyheptane (688-82-4) + 2-allylphenol (695-84-1)

Guidance literature:

In tetrahydrofuran; for 12h; Yields of byproduct given; -70 degC to room temp.;

Reference yield:

1-hexene (592-41-6,25067-06-5) + ethanol (64-17-5) + carbon monoxide (201230-82-2) → heptanal (111-71-7) + 2-methylhexanal (925-54-2) + 1,1-diethoxyheptane (688-82-4) + 2-Heptanol (52390-72-4,543-49-7) + n-heptan1ol (111-70-6) + 1,1-diethoxy-2-methylhexane

Guidance literature:

With hydrogen; ; zeolite X; In toluene; at 120 ℃; for 17h; under 38000 Torr; Product distribution; other zeolite, phosphanes, pressures;

DOI:10.1039/cc9960001543

Reference yield:

1,1-diethoxy-2-heptyne (18232-30-9) → 1,1-diethoxyheptane (688-82-4) + 1,1-diethoxy-hept-2-ene (20810-22-4)

Guidance literature:

With sodium tetrahydroborate; nickel dichloride; In methanol; ethanol; at 0 ℃; for 3h;

DOI:10.1021/jo00363a043

upstream raw materials:

heptanal

ethanol

Cl-Mo(O)=CH₂

1,1-diethoxy-2-heptyne

Downstream raw materials:

1-Aethoxy-1-cumylperoxy-heptan

C₁₉H₂₄O₂

heptanal

ethanol

Refernces

• 1、 Li, Baitao,Li, Xiaohong,Asami, Kenji,Fujimoto, Kaoru. "Low pressure hydroformylation in the presence of alcohol promoters". . p. 836 - 837. Retrieved 2007/10/03.
• 2、 Byrne, Brian,Lawter, Louise M. Lafleur,Wengenroth, Karl J.. "The Stereoselective Synthesis of Ethyl 2(E),4(Z)-Decadienoate". . p. 2607 - 2609. Retrieved 2007/10/02.