1,1,3,3-Tetraethoxypropane

Base Information

• Chemical Name: 1,1,3,3-Tetraethoxypropane
• CAS No.: 122-31-6
• Molecular Formula: C11H24O4
• Molecular Weight: 220.309
• Hs Code.: 29110000
• European Community (EC) Number: 204-533-1
• NSC Number: 17068
• UNII: G7ZMW723R7
• DSSTox Substance ID: DTXSID70153456
• Nikkaji Number: J36.835K
• Wikidata: Q27278908
• Mol file: 122-31-6.mol

Synonyms:1,1,3,3-tetraethoxypropane

Chemical Property of 1,1,3,3-Tetraethoxypropane

Chemical Property:

• Appearance/Colour: clear colourless to yellow liquid
• Vapor Pressure: 0.302mmHg at 25°C
• Melting Point: -90 °C
• Refractive Index: n20/D 1.411(lit.)
• Boiling Point: 220 °C at 760 mmHg
• Flash Point: 42.2 °C
• PSA: 36.92000
• Density: 0.932 g/cm³
• LogP: 2.17470
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• Water Solubility.: insoluble
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 220.16745924
• Heavy Atom Count: 15
• Complexity: 104

Purity/Quality:

99% ^*data from raw suppliers

1,1,3,3-Tetraethoxypropane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 36/37/39-26-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Acetals
• Canonical SMILES: CCOC(CC(OCC)OCC)OCC
• General Description: Malonaldehyde bis(diethyl acetal), also known as 1,1,3,3-tetraethoxypropane, serves as a malonaldehyde precursor in chemical reactions, particularly under acidic conditions. It is utilized in nucleic acid research to generate malonaldehyde, which reacts with guanosine to form mutagenic and carcinogenic adducts, such as pyrimido[1,2-a]purin-10(3H)-one nucleoside, through thermal decomposition of intermediate diastereomers. Malonaldehyde bis(diethyl acetal) is significant in studies involving DNA damage and mutagenesis due to its role in producing reactive malonaldehyde in situ.

Technology Process of 1,1,3,3-Tetraethoxypropane

There total 31 articles about 1,1,3,3-Tetraethoxypropane 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: 76.5%

trimethylsiloxyethene (6213-94-1) + orthoformic acid triethyl ester (122-51-0) → malondialdehyde bis(diethyl acetal) (122-31-6)

Guidance literature:

With zinc(II) chloride; In ethyl acetate; for 3h; Ambient temperature;

Reference yield: 70.0%

ethanol (64-17-5) + cyclohexa-1,4-diene (1165952-92-0) → malondialdehyde bis(diethyl acetal) (122-31-6) + ethyl 3,3-diethoxypropanoate (10601-80-6) + diethyl malonate (105-53-3)

Guidance literature:

With hydrogenchloride; ozone; -40 deg C, then ca. 30 min reflux;

Reference yield: 69.2%

ethyl vinyl ether (109-92-2,25104-37-4) + orthoformic acid triethyl ester (122-51-0) → malondialdehyde bis(diethyl acetal) (122-31-6)

Guidance literature:

ethyl vinyl ether; orthoformic acid triethyl ester; With boron trifluoride diethyl etherate; at 20 - 38 ℃;

With potassium carbonate; at 20 ℃; for 2h;

upstream raw materials:

1,3,3-triethoxypropene

ethanol

acetic acid-(1,3,3-triethoxy-propyl ester)

ethyl vinyl ether

Downstream raw materials:

1-(4-nitrophenyl)pyrazole

pyrazole carboxamide

1-(2,4-dinitrophenyl)-1H-pyrazole

1-phenylpyrazole

Refernces

Reaction of malonaldehyde with nucleic acid. IV. Formation of pyrimido[1,2-a]purin-10(3H)-one nucleoside by thermal decomposition of diastereomers containing oxadiazabicyclononene residues linked to guanosine

10.1248/cpb.39.515

The study investigates the reaction of malonaldehyde with nucleic acids, specifically focusing on the formation of pyrimido[1,2-a]purin-10(3H)-one nucleoside (3) through the thermal decomposition of diastereomers containing oxadiazabicyclononene residues linked to guanosine. Malonaldehyde, a product of lipid peroxidation and prostaglandin biosynthesis, is known for its mutagenic and carcinogenic properties. In this research, guanosine reacts with 1,1,3,3-tetraethoxypropane, which acts as a generator of malonaldehyde, under strongly acidic conditions to form diastereomers 4a and 4b. These diastereomers are then decomposed by heat, yielding the desired pyrimido[1,2-a]purin-10(3H)-one nucleoside (3) in a good yield. The study also proposes a convenient method for the preparation of compound 3, which includes the thermal decomposition process of the diastereomers. The findings suggest that this method is rapid and effective, significantly improving the yield of compound 3 compared to previous methods.

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