1-(1,3-Dioxolan-2-yl)acetone

Base Information

• Chemical Name: 1-(1,3-Dioxolan-2-yl)acetone
• CAS No.: 767-04-4
• Molecular Formula: C6H10 O3
• Molecular Weight: 130.144
• Hs Code.: 2932999099
• European Community (EC) Number: 212-176-8
• UNII: HSY645TSX4
• DSSTox Substance ID: DTXSID00227492
• Nikkaji Number: J193.142C
• Wikidata: Q83107247
• Mol file: 767-04-4.mol

Synonyms:1-(1,3-dioxolan-2-yl)propan-2-one;767-04-4;1-(1,3-Dioxolan-2-yl)acetone;EINECS 212-176-8;HSY645TSX4;1-(1,3-Dioxolan-2-yl)-2-propanone;2-Propanone, 1-(1,3-dioxolan-2-yl)-;UNII-HSY645TSX4;SCHEMBL4989248;DTXSID00227492;1-(1,3-Dioxolan-2-yl)acetone #;AKOS022189178

Chemical Property of 1-(1,3-Dioxolan-2-yl)acetone

Chemical Property:

• Vapor Pressure: 0.495mmHg at 25°C
• Boiling Point: 192.2°C at 760 mmHg
• Flash Point: 60.1°C
• PSA: 35.53000
• Density: 1.066g/cm³
• LogP: 0.33840
• Storage Temp.: 2-8°C
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 130.062994177
• Heavy Atom Count: 9
• Complexity: 105

Purity/Quality:

98%Min ^*data from raw suppliers

1-(1,3-DIOXOLAN-2-YL)-2-PROPANONE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC1OCCO1

Technology Process of 1-(1,3-Dioxolan-2-yl)acetone

There total 5 articles about 1-(1,3-Dioxolan-2-yl)acetone 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: 81.0%

ethylene glycol (107-21-1) + methyl ethynyl ketone (1423-60-5) → 1-(1,3-dioxolan-2-yl)propan-2-one (767-04-4)

Guidance literature:

With dmap; at 0 - 20 ℃; for 24h;

DOI:10.1039/b414895a

Reference yield: 10.0%

ethylene glycol (107-21-1) + methyl vinyl ketone (78-94-4,25038-87-3) → 1-(1,3-dioxolan-2-yl)propan-2-one (767-04-4) + 4-(2-hydroxyethoxy) butane-2-one (87971-45-7)

Guidance literature:

With oxygen; copper(l) chloride; palladium dichloride; In 1,2-dimethoxyethane;

DOI:10.1039/c39830000848

Reference yield:

ethylene glycol (107-21-1) → 2-[1,3]dioxolan-2-ylmethyl-2-methyl-[1,3]dioxolane (4362-30-5) + 1-(1,3-dioxolan-2-yl)propan-2-one (767-04-4)

Guidance literature:

With hydrogenchloride; benzene; anschliessendes Behandeln mit der Natrium-Verbindung des Acetoacetaldehyds;

upstream raw materials:

Butadiyne

ethylene glycol

(E)-1-bromo-1-buten-3-one

methyl vinyl ketone

Downstream raw materials:

1,3,5-triacetylbenzene

α-bromoacetoacetaldehyde

2-Methylnaphthalene

Refernces

• 1、 O Dalaigh, Ciaran,Corr, Serena A.,Gun'ko, Yurii,Connon, Stephen J.. "A magnetic-nanoparticle-supported 4-N,N-dialkylaminopyridine catalyst: Excellent reactivity combined with facile catalyst recovery and recyclability". . p. 4329 - 4332. Retrieved 2008/03/11.
• 2、 Hosokawa, Takahiro,Ohta, Toshiyuki,Kanayama, Satoshi,Murahashi, Shun-Ichi. "Palladium(II)-Catalyzed Acetalization of Terminal Olefins Bearing Electron-Withdrawing Substituents with Optically Active Diols". . p. 1758 - 1764. Retrieved 2007/10/02.