1,3-Dioxolane-2-acetic acid, 2-methyl-, ethyl ester

Base Information

• Chemical Name: 1,3-Dioxolane-2-acetic acid, 2-methyl-, ethyl ester
• CAS No.: 6413-10-1
• Deprecated CAS: 1021149-30-3
• Molecular Formula: C8H14O4
• Molecular Weight: 174.197
• Hs Code.: 2932999099
• European Community (EC) Number: 229-114-0
• NSC Number: 6537
• UNII: G5EXI4NID0
• DSSTox Substance ID: DTXSID3041241
• Nikkaji Number: J76.716F
• Wikipedia: Fructone
• Wikidata: Q1879409
• RXCUI: 2388133
• Mol file: 6413-10-1.mol

Synonyms:ethyl 2-(2-methyl-1,3-dioxolan-2-yl)acetate;6413-10-1;Fructone;1,3-Dioxolane-2-acetic acid, 2-methyl-, ethyl ester;Ethyl 2-methyl-1,3-dioxolane-2-acetate;Ethyl acetoacetate ethylene ketal;Ethyl (2-methyl-1,3-dioxolan-2-yl)acetate;Ethyl acetoacetate 3-ethylene acetal;Ethyl 3-oxobutyrate ethylene ketal;G5EXI4NID0;Ethyl acetoacetate ethyleneglycol ketal;Ethyl acetoacetate ethylene acetal;2-Methyl-1,3-dioxolane-2-acetic acid ethyl ester;NSC 6537;NSC-6537;EINECS 229-114-0;Ethylacetoacetate ethyleneglycol ketal;MFCD00152488;BRN 0130164;Ethyl acetoacetate ethylene glycol ketal;AI3-06368;APPLINAL;UNII-G5EXI4NID0;Fructone, analytical standard;SCHEMBL180341;ethyl 3,3-ethylendioxybutyrate;DTXSID3041241;FEMA NO. 4477;ethyl 3,3-ethylenedioxybutanoate;NSC6537;ethyl 2-methyldioxolan-2-ylacetate;AKOS005266777;CS-W005344;DS-16454;LS-62498;SY014722;E0929;FT-0627548;EC 229-114-0;EN300-139183;Ethyl (2-methyl-1,3-dioxolan-2-yl)acetate #;ETHYL 3-OXOBUTYRATE ETHYLENE GLYCOL KETAL;5-19-07-00231 (Beilstein Handbook Reference);Q1879409;W-110142;(2-methyl-[1,3]dioxolan-2-yl)-acetic acid ethyl ester;2-(2-Methyl-1,3-dioxolan-2-yl)acetic Acid Ethyl Ester;F8889-6786;2-METHYL-2-((ETHOXYCARBONYL)METHYL)-1,3-DIOXOLANE;(2-METHYL-1,3-DIOXOLAN-2-YL)ACETIC ACID ETHYL ESTER

Chemical Property of 1,3-Dioxolane-2-acetic acid, 2-methyl-, ethyl ester

Chemical Property:

• Vapor Pressure: 0.219mmHg at 25°C
• Refractive Index: 1.428
• Boiling Point: 207.989 °C at 760 mmHg
• Flash Point: 80.775 °C
• PSA: 44.76000
• Density: 1.067 g/cm³
• LogP: 0.70260
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Water Solubility.: 124.8g/L at 20℃
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 174.08920892
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

Ethyl 2-(2-Methyl-1,3-dioxolan-2-yl)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1(OCCO1)C

Technology Process of 1,3-Dioxolane-2-acetic acid, 2-methyl-, ethyl ester

There total 4 articles about 1,3-Dioxolane-2-acetic acid, 2-methyl-, ethyl ester 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: 98.6%

ethyl acetoacetate (141-97-9) + ethylene glycol (107-21-1) → fructone (6413-10-1)

Guidance literature:

With montmorillonite K-10; In benzene; for 6h; Heating;

DOI:10.1039/a605661j

Reference yield: 91.0%

ethyl acetoacetate (141-97-9) + ethylene glycol (107-21-1) → (2-methyl-[1,3]dioxolan-2-yl)-acetic acid (5735-97-7) + fructone (6413-10-1)

Guidance literature:

β-1 zeolite; In toluene; at 145.85 ℃; for 1h; Further Variations:; Catalysts; Temperatures; Pressures; Product distribution;

DOI:10.1006/jcat.2000.3044

Reference yield:

ethyl acetoacetate (141-97-9) → fructone (6413-10-1)

Guidance literature:

With toluene-4-sulfonic acid; ethylene glycol; benzene; Entfernen des entstehenden Wassers;

upstream raw materials:

ethyl acetoacetate

ethylene glycol

Downstream raw materials:

2-(2-methyl-1,3-dioxolan-2-yl)ethanol

(2-methyl-[1,3]dioxolan-2-yl)-acetic acid

3,3-ethylenedioxybutanal

ethyl acetoacetate