Ethyl 3-(1,3-dioxan-2-YL)propionate

Base Information

• Chemical Name: Ethyl 3-(1,3-dioxan-2-YL)propionate
• CAS No.: 86178-21-4
• Molecular Formula: C₉H₁₆O₄
• Molecular Weight: 188.224
• DSSTox Substance ID: DTXSID30585294
• Wikidata: Q82477203
• Mol file: 86178-21-4.mol

Synonyms:ETHYL 3-(1,3-DIOXAN-2-YL)PROPIONATE;86178-21-4;ethyl 3-(1,3-dioxan-2-yl)propanoate;MFCD07700157;SCHEMBL13556317;DTXSID30585294;AKOS006287532;ETHYL3-(1,3-DIOXAN-2-YL)PROPIONATE

Chemical Property of Ethyl 3-(1,3-dioxan-2-YL)propionate

Chemical Property:

• Vapor Pressure: 0.0266mmHg at 25°C
• Boiling Point: 246.8°C at 760 mmHg
• Flash Point: 101.7°C
• PSA: 44.76000
• Density: 1.05g/cm³
• LogP: 1.09270
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 188.10485899
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

97% ^*data from raw suppliers

Ethyl3-(1,3-dioxan-2-yl)propionate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCC1OCCCO1

Technology Process of Ethyl 3-(1,3-dioxan-2-YL)propionate

There total 1 articles about Ethyl 3-(1,3-dioxan-2-YL)propionate 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: 97.0%

(1,3-dioxan-2-yl)ethylmagnesium bromide + chloroformic acid ethyl ester (541-41-3) → C9H16O5 + 3-[1,3]dioxan-2-yl-propionic acid ethyl ester (86178-21-4)

Guidance literature:

With copper(I) bromide; lithium bromide; In tetrahydrofuran; at 20 ℃;

DOI:10.1055/s-2007-973861

upstream raw materials:

chloroformic acid ethyl ester