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

Base Information

• Chemical Name: 1,3-Dioxolane-2-propanoic acid, 2-methyl-, ethyl ester
• CAS No.: 941-43-5
• Molecular Formula: C9H16 O4
• Molecular Weight: 188.224
• Hs Code.: 2932999099
• European Community (EC) Number: 213-379-4
• NSC Number: 46288
• UNII: 1KMF3P05N6
• DSSTox Substance ID: DTXSID9061332
• Nikkaji Number: J117.423A
• Wikidata: Q81989413
• Mol file: 941-43-5.mol

Synonyms:941-43-5;Ethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate;1,3-Dioxolane-2-propanoic acid, 2-methyl-, ethyl ester;1,3-Dioxolane-2-propionic acid, 2-methyl-, ethyl ester;ETHYL 3-(2-METHYL-[1,3]DIOXOLAN-2-YL)PROPANOATE;Ethyl levulinate ethylene ketal;Ethyl 2-methyl-1,3-dioxolane-2-propionate;NSC 46288;1KMF3P05N6;EINECS 213-379-4;NSC-46288;ethyl 2-methyl-1,3-dioxolane-2-propanoate;NSC46288;Ethyl3-(2-methyl-1,3-dioxolan-2-yl)propanoate;UNII-1KMF3P05N6;SCHEMBL135497;2-Methyl-1,3-dioxolane-2-propanoic Acid Ethyl Ester;ethyl levulinate ethylene acetal;DTXSID9061332;MFCD00154540;AKOS006271877;FT-0668326;Ethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate #;2-Methyl-1,3-dioxolane-2-propionic acid ethyl ester;2-Propionic acid, 2-methyl-1,3-dioxolane-, ethyl ester;(S)-3-AMINO-1-(TERT-BUTOXYCARBONYL)PIPERIDINE-3-CARBOXYLICACID

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

Chemical Property:

• Vapor Pressure: 0.0749mmHg at 25°C
• Boiling Point: 228.1°Cat760mmHg
• Flash Point: 91.1°C
• PSA: 44.76000
• Density: 1.046g/cm³
• LogP: 1.09270
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 188.10485899
• Heavy Atom Count: 13
• Complexity: 173

Purity/Quality:

99% ^*data from raw suppliers

Ethyl3-(2-methyl-[1,3]dioxolan-2-yl)propanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCC1(OCCO1)C
• Uses: Ethyl 3-(2-methyl-[1,3]dioxolan-2-yl)propanoate (cas# 941-43-5) is a compound useful in organic synthesis.

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

There total 10 articles about 1,3-Dioxolane-2-propanoic 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: 100.0%

1,2-bis (triethylsilyloxy) ethane (13175-68-3) + 4-oxopentanoic acid ethyl ester (539-88-8) → Ethyl levulinate ethylene ketal (941-43-5)

Guidance literature:

With trimethylsilyl trifluoromethanesulfonate; In dichloromethane; at -78 ℃; for 4.5h;

Reference yield: 98.9%

ethylene glycol (107-21-1) + 4-oxopentanoic acid ethyl ester (539-88-8) → Ethyl levulinate ethylene ketal (941-43-5)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; for 18h; Heating;

DOI:10.1021/jo00202a013

Reference yield: 92.0%

2-Methoxy-2-methyl-cyclopropanecarboxylic acid ethyl ester (78932-46-4) + ethylene glycol (107-21-1) → Ethyl levulinate ethylene ketal (941-43-5)

Guidance literature:

With trifluorormethanesulfonic acid; In tetrahydrofuran;

DOI:10.1055/s-1990-27125

upstream raw materials:

2-ethyl-2-methyl-1,3-dioxolane

4-oxopentanoic acid ethyl ester

2-Methoxy-2-methyl-cyclopropanecarboxylic acid ethyl ester

ethylene glycol

Downstream raw materials:

1-(2-Oxocyclohexyl)-1,4-pentandion

Refernces

• 1、 Zhou, Shiyang,Zou, Huiying,Huang, Gangliang,Chen, Guangying,Zhou, Xueming,Huang, Shuheng. "Design, synthesis and anti-rheumatoid arthritis evaluation of double-ring conjugated enones". . . Retrieved 2021/02/22.
• 2、 Aitken, Harry R. M.,Brimble, Margaret A.,Furkert, Daniel P.. "A Catalytic Asymmetric Ene Reaction for Direct Preparation of α-Hydroxy 1,4-Diketones as Intermediates in Natural Product Synthesis". supporting information. p. 687 - 690. Retrieved 2020/04/07.