Diethoxymethyl acetate

Base Information

• Chemical Name: Diethoxymethyl acetate
• CAS No.: 14036-06-7
• Molecular Formula: C7H14O4
• Molecular Weight: 162.186
• Hs Code.: 29153900
• European Community (EC) Number: 237-873-4
• NSC Number: 158267
• DSSTox Substance ID: DTXSID80884547
• Nikkaji Number: J81.708B
• Wikidata: Q72468927
• Mol file: 14036-06-7.mol

Synonyms:diethoxymethyl acetate

Chemical Property of Diethoxymethyl acetate

Chemical Property:

• Appearance/Colour: Colorless liquid
• Vapor Pressure: 0.689mmHg at 25°C
• Refractive Index: n20/D 1.399(lit.)
• Boiling Point: 185.7 °C at 760 mmHg
• Flash Point: 27.8 °C
• PSA: 44.76000
• Density: 1.009 g/cm³
• LogP: 0.90610
• Storage Temp.: 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 162.08920892
• Heavy Atom Count: 11
• Complexity: 107

Purity/Quality:

97% ^*data from raw suppliers

Diethoxymethyl Acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(OCC)OC(=O)C
• Uses: Diethoxymethyl acetate was used in the synthesis of D-mannosyl, D-galactosyl and D-glucosyl theophylline nucleosides.

Technology Process of Diethoxymethyl acetate

There total 5 articles about Diethoxymethyl acetate 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: 66.0%

acetic anhydride (108-24-7) + orthoformic acid triethyl ester (122-51-0) → diethoxymethyl acetate (14036-06-7)

Guidance literature:

With formic acid; for 24h;

DOI:10.1016/0022-328X(92)83085-V

Reference yield: 54.5%

orthoformic acid triethyl ester (122-51-0) → diethoxymethyl acetate (14036-06-7) + Hg

Guidance literature:

With formic acid; acetic anhydride;

Reference yield:

acetic anhydride (108-24-7) + orthoformic acid triethyl ester (122-51-0) → diethoxymethyl acetate (14036-06-7) + ethyl acetate (141-78-6)

Guidance literature:

at 25 ℃; im Dunkeln;

upstream raw materials:

acetic anhydride

orthoformic acid triethyl ester

acetic acid

Downstream raw materials:

ethanol

sodium acetate

formic acid ethyl ester

3,3'-diethyloxacarbocyanine iodide

Refernces

Cyclocondensation Reactions of 3-Amino-2-hydrazino-4(3H)-pyrimidones. Formation of 1,2,4-Triazolo<4,3-a>pyrimidines and Pyrimido<1,2-b><1,2,4,5>tetrazines

10.1021/jo00387a021

This research explores the cyclocondensation reactions of 3-amino-2-hydrazino-4(3H)-pyrimidinones to form 1,2,4-triazolo[4,3-a]pyrimidin-7(8H)-ones and 6H-pyrimido[1,2-b][1,2,4,5]tetrazin-6-ones. The study aims to develop a synthetic strategy for creating ring-fused systems containing nitrogen at the ring-junction, utilizing the adjacent amino and hydrazino functional groups in a heterocyclic system. The researchers reacted 3-amino-2-hydrazino-4(3H)-pyrimidinones with ortho esters, dimethylformamide dimethyl acetal, and diethoxymethyl acetate in various solvents and conditions, yielding products with substituents. Key findings include the preferential reactivity of the primary amino function of the hydrazino substituent and the isomerization of the ring-fused tetrazine derivative to a ring-fused 1,2,4-triazole.