2-Propanone, 1-(1-oxopropoxy)-

Base Information

• Chemical Name: 2-Propanone, 1-(1-oxopropoxy)-
• CAS No.: 72845-79-5
• Molecular Formula: C₆H₁₀O₃
• Molecular Weight: 130.144
• Hs Code.: 2915509000
• DSSTox Substance ID: DTXSID7072620
• Nikkaji Number: J447.220I
• Wikidata: Q82000751
• Mol file: 72845-79-5.mol

Synonyms:2-Propanone, 1-(1-oxopropoxy)-;72845-79-5;2-oxopropyl propanoate;Acetol propionate;propionyloxyacetone;1-(Propionyloxy)-2-propanon;SCHEMBL946642;1-(1-Oxopropoxy)-2-propanone;DTXSID7072620

Chemical Property of 2-Propanone, 1-(1-oxopropoxy)-

Chemical Property:

• Vapor Pressure: 1.43mmHg at 25°C
• Boiling Point: 171°C at 760 mmHg
• Flash Point: 61.2°C
• PSA: 43.37000
• Density: 1.015g/cm³
• LogP: 0.52860
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 130.062994177
• Heavy Atom Count: 9
• Complexity: 118

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)OCC(=O)C

Technology Process of 2-Propanone, 1-(1-oxopropoxy)-

There total 3 articles about 2-Propanone, 1-(1-oxopropoxy)- 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: 92.0%

propionic acid (802294-64-0,79-09-4) + acetone (67-64-1) → 2-oxopropyl propionate (72845-79-5)

Guidance literature:

With potassium carbonate; ethylene dibromide; potassium iodide; at 60 ℃; for 10h; Sealed tube;

DOI:10.1016/j.cclet.2019.08.052

Reference yield:

oxiran-2-ylmethyl propionate (37111-25-4) → 2-oxopropyl propionate (72845-79-5)

Guidance literature:

With Rh((1,8-bis(imidazolin-2-ylidene)-3,6-di(tert-butyl)carbazolide)^homoallyl); In benzene-d6; at 20 ℃; for 2h; Reagent/catalyst; Temperature; regioselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1039/C8CC06503A

Reference yield:

cyclopropanone (5009-27-8) → 2-oxopropyl propionate (72845-79-5)

Guidance literature:

With furan; In dichloromethane;

DOI:10.1016/S0040-4020(01)90985-8

upstream raw materials:

cyclopropanone

oxiran-2-ylmethyl propionate

propionic acid

acetone