Methyl 4-(2-methyl-1,3-dioxolan-2-yl)butanoate

Base Information

• Chemical Name: Methyl 4-(2-methyl-1,3-dioxolan-2-yl)butanoate
• CAS No.: 29310-39-2
• Molecular Formula: C9H16O4
• Molecular Weight: 188.22100
• European Community (EC) Number: 667-831-4
• DSSTox Substance ID: DTXSID40391328
• Wikidata: Q82188720
• Mol file: 29310-39-2.mol

Synonyms:Methyl 4-(2-methyl-1,3-dioxolan-2-yl)butanoate;29310-39-2;SCHEMBL9258891;DTXSID40391328;VYOHYUOQDOIFLF-UHFFFAOYSA-N;AKOS024338096;Methyl 2-methyl-1,3-dioxolane-2-butanoate;Methyl 2-methyl-I,3-dioxolane-2-butanoate

Chemical Property of Methyl 4-(2-methyl-1,3-dioxolan-2-yl)butanoate

Chemical Property:

• Boiling Point: 105-107 °C(Press: 7-8 Torr)
• PSA: 44.76000
• Density: 1.046±0.06 g/cm3(Predicted)
• LogP: 1.09270
• 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:

METHYL 2-METHYL-1,3-DIOXOLANE-2-BUTYRATE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(OCCO1)CCCC(=O)OC

Technology Process of Methyl 4-(2-methyl-1,3-dioxolan-2-yl)butanoate

There total 5 articles about Methyl 4-(2-methyl-1,3-dioxolan-2-yl)butanoate 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: 73.0%

methyl levulinate (13984-50-4) + ethylene glycol (107-21-1) → methyl 5-oxohexanoate ethylene ketal (29310-39-2)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; for 11h; Heating;

Reference yield:

5-ketohexanoic acid (3128-06-1) → methyl 5-oxohexanoate ethylene ketal (29310-39-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 94 percent / H₂SO₄ / 18 h

2: p-toluenesulfonic acid / benzene / 3.5 h / Heating

With sulfuric acid; toluene-4-sulfonic acid; In benzene;

DOI:10.1021/ja00373a025

Reference yield:

methyl levulinate (13984-50-4) → methyl 5-oxohexanoate ethylene ketal (29310-39-2) + Methyl 2-methyl-I,3-dioxolane-2-butanoate

Guidance literature:

In ethylene glycol;

upstream raw materials:

methyl levulinate

ethylene glycol

5-ketohexanoic acid

Downstream raw materials:

4-(2-methyl-[1,3]-dioxolan-2-yl)butan-1-ol