2-Phenethyl-1,3-dioxolane

Base Information

• Chemical Name: 2-Phenethyl-1,3-dioxolane
• CAS No.: 4360-60-5
• Molecular Formula: C11H14O2
• Molecular Weight: 178.231
• Hs Code.: 2932999099
• European Community (EC) Number: 224-442-0
• NSC Number: 22573
• UNII: E894DK6G3L
• DSSTox Substance ID: DTXSID6063430
• Nikkaji Number: J205.741G
• Wikidata: Q81990735
• Mol file: 4360-60-5.mol

Synonyms:2-Phenethyl-1,3-dioxolane;4360-60-5;2-(2-phenylethyl)-1,3-dioxolane;1,3-Dioxolane, 2-(2-phenylethyl)-;2-Phenethyldioxolane;1,3-Dioxolane, 2-phenethyl-;Hydrocinnamaldehyde, cyclic ethylene acetal;3-Phenylpropionaldehyde, ethylene acetal;E894DK6G3L;Benzenepropanal, cyclic 1,2-ethanediyl acetal;EINECS 224-442-0;NSC 22573;NSC-22573;AI3-30675;1, 2-phenethyl-;UNII-E894DK6G3L;1, 2-(2-phenylethyl)-;2-phenethyl-[1,3]dioxolane;SCHEMBL7428125;DTXSID6063430;Benzenepropanal,2-ethanediyl acetal;2-(2-PHENYLETHYL)DIOXOLANE;NSC22573;AKOS006241276;3-PHENYLPROPANAL ETHYLENE ACETAL;FT-0722626

Chemical Property of 2-Phenethyl-1,3-dioxolane

Chemical Property:

• Vapor Pressure: 0.0167mmHg at 25°C
• Boiling Point: 263.6°Cat760mmHg
• Flash Point: 117.2°C
• PSA: 18.46000
• Density: 1.054g/cm³
• LogP: 1.99210
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 135

Purity/Quality:

99% ^*data from raw suppliers

2-(2-PHENYLETHYL)-1,3-DIOXOLANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC(O1)CCC2=CC=CC=C2

Technology Process of 2-Phenethyl-1,3-dioxolane

There total 17 articles about 2-Phenethyl-1,3-dioxolane 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: 95.0%

3-phenyl-propionaldehyde (104-53-0) + ethylene glycol (107-21-1) → 2-phenethyl-[1,3]dioxolane (4360-60-5)

Guidance literature:

With aluminum oxide; for 0.0333333h; Irradiation;

DOI:10.1080/00397919508015450

Reference yield: 86.0%

2-(2-iodoethyl)-1,3-dioxolane (83665-55-8) + phenylmagnesium bromide → 2-phenethyl-[1,3]dioxolane (4360-60-5)

Guidance literature:

With (1R,2R)-bis(dimethylamino)cyclohexane; In tetrahydrofuran; at 25 ℃; for 0.25h;

DOI:10.1021/ja057560o

Reference yield: 82.0%

2,2-dimethyl-1,3-dioxolane (2916-31-6) + 3-phenyl-propionaldehyde (104-53-0) → 2-phenethyl-[1,3]dioxolane (4360-60-5)

Guidance literature:

With Montmorillonite clay KSF; at 80 ℃; for 0.166667h; Irradiation;

DOI:10.1016/S0040-4039(97)10149-6

upstream raw materials:

3-phenyl-propionaldehyde

ethylene glycol

oxirane

2,2-dimethyl-1,3-dioxolane

Downstream raw materials:

2-phenethyl-[1,3]dithiane

2-(2-Phenylethyl)-1,3-dithiolane

3-phenyl-propionaldehyde

2-hydroxyethyl-3-phenylpropanoate

Refernces

• 1、 Wang, Yong,Cao, Xinyi,Zhao, Leyao,Pi, Chao,Ji, Jingfei,Cui, Xiuling,Wu, Yangjie. "Generalized Chemoselective Transfer Hydrogenation/Hydrodeuteration". supporting information. p. 4119 - 4129. Retrieved 2020/08/10.
• 2、 Yi, Hong,Niu, Linbin,Wang, Shengchun,Liu, Tianyi,Singh, Atul K.,Lei, Aiwen. "Visible-light-induced acetalization of aldehydes with alcohols". supporting information. p. 122 - 125. Retrieved 2017/11/27.