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

Base Information

• Chemical Name: 2-(1-Phenylethyl)-1,3-dioxolane
• CAS No.: 4362-22-5
• Molecular Formula: C11H14 O2
• Molecular Weight: 178.231
• Hs Code.: 2932999099
• European Community (EC) Number: 224-449-9
• NSC Number: 39437
• UNII: G7I4277EKN
• DSSTox Substance ID: DTXSID10863380
• Nikkaji Number: J87.311J
• Wikidata: Q27159761
• Mol file: 4362-22-5.mol

Synonyms:2-(1-Phenylethyl)-1,3-dioxolane;4362-22-5;1,3-Dioxolane, 2-(1-phenylethyl)-;2-phenylpropanal ethylene acetal;UNII-G7I4277EKN;G7I4277EKN;EINECS 224-449-9;NSC 39437;NSC-39437;Hydratropic aldehyde cycloglycol acetal;1,3-Dioxolane, 2-(alpha-methylbenzyl)-;AI3-31829;NSC39437;1, 2-(1-phenylethyl)-;SCHEMBL3506568;CHEBI:87596;1, 2-(.alpha.-methylbenzyl)-;DTXSID10863380;1,1-Ethylenedioxy-2-phenylpropane;2-(1-PHENYLETHYL)DIOXOLANE;STL563157;AKOS006271847;2-(1-Phenylethyl)-1,3-dioxolane #;1,3-Dioxolane, 2-(.alpha.-methylbenzyl)-;FT-0691188;2 - (1 - phenylethyl) - 1,3 - dioxolane;2-PHENYLPROPANAL ETHYLENE GLYCOL ACETAL;Q27159761

Chemical Property of 2-(1-Phenylethyl)-1,3-dioxolane

Chemical Property:

• Vapor Pressure: 0.0363mmHg at 25°C
• Boiling Point: 249.4°Cat760mmHg
• Flash Point: 106.8°C
• PSA: 18.46000
• Density: 1.071g/cm³
• LogP: 2.16300
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 146

Purity/Quality:

99% ^*data from raw suppliers

HYDRATROPIC ALDEHYDE CYCLOGLYCOL ACETAL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1OCCO1)C2=CC=CC=C2

Technology Process of 2-(1-Phenylethyl)-1,3-dioxolane

There total 8 articles about 2-(1-Phenylethyl)-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: 98.8%

2-Phenylpropanal (34713-70-7) → 2-phenylpropanal ethylene acetal (4362-22-5)

Guidance literature:

With toluene-4-sulfonic acid; In ethylene glycol; toluene;

Reference yield: 95.0%

2-Phenylpropanal (34713-70-7) + ethylene glycol (107-21-1) → 2-phenylpropanal ethylene acetal (4362-22-5)

Guidance literature:

aluminum oxide; In tetrachloromethane; for 24h; Heating;

DOI:10.1016/S0040-4039(00)94946-3

Reference yield: 57.0%

(α-methylbenzyl)zinc bromide (85459-20-7) + 1-(1,3-dioxolan-2-yl)-1H-1,2,3-benzotriazole (265134-89-2) → 2-phenylpropanal ethylene acetal (4362-22-5)

Guidance literature:

In tetrahydrofuran; Heating;

DOI:10.1021/jo991624u

upstream raw materials:

2-Phenylpropanal

ethylene glycol

(α-methylbenzyl)zinc bromide

1-(1,3-dioxolan-2-yl)-1H-1,2,3-benzotriazole

Downstream raw materials:

2-hydroxyethyl-2-phenylpropanoate

Refernces

• 1、 Li, Yong-Qi,Wang, Peng,Liu, Huan,Lu, Yong,Zhao, Xiao-Li,Liu, Ye. "Co-catalysis of a bi-functional ligand containing phosphine and Lewis acidic phosphonium for hydroformylation-acetalization of olefins". . p. 1798 - 1806. Retrieved 2016/04/01.
• 2、 Diebolt, Olivier,Cruzeuil, Clement,Mueller, Christian,Vogt, Dieter. "Formation of acetals under rhodium-catalyzed hydroformylation conditions in alcohols". supporting information; experimental part. p. 670 - 677. Retrieved 2012/04/23.