2-Phenethyl-1,3-dioxane

Base Information

• Chemical Name: 2-Phenethyl-1,3-dioxane
• CAS No.: 5663-30-9
• Molecular Formula: C12H16 O2
• Molecular Weight: 192.258
• NSC Number: 404936,22537
• DSSTox Substance ID: DTXSID40281679
• Nikkaji Number: J603.509D
• Wikidata: Q82015713
• Mol file: 5663-30-9.mol

Synonyms:2-phenethyl-1,3-dioxane;5663-30-9;NSC22537;SCHEMBL7266929;DTXSID40281679;NSC-22537;NSC404936;NSC-404936

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

Chemical Property:

• Vapor Pressure: 0.00458mmHg at 25°C
• Boiling Point: 286.3°Cat760mmHg
• Flash Point: 133.9°C
• PSA: 18.46000
• Density: 1.029g/cm³
• LogP: 2.38220
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 192.115029749
• Heavy Atom Count: 14
• Complexity: 146

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC(OC1)CCC2=CC=CC=C2

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

There total 13 articles about 2-Phenethyl-1,3-dioxane 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: 96.0%

2-(2-Bromoethyl)-1,3-dioxane (33884-43-4) + phenylmagnesium chloride (100-59-4) → 2-(2-phenylethyl)-1,3-dioxane (5663-30-9)

Guidance literature:

With N,N,N,N,-tetramethylethylenediamine; [((Me)NN₂)NiCl]; In tetrahydrofuran; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1021/ja9027378

Reference yield: 96.0%

(3,3-dimethoxypropyl)benzene (30076-98-3) + trimethyleneglycol (504-63-2) → 2-(2-phenylethyl)-1,3-dioxane (5663-30-9)

Guidance literature:

With povidone-iodine; In acetonitrile; at 60 ℃; for 3h; Green chemistry;

DOI:10.1016/j.tet.2021.132250

Reference yield: 91.0%

3-phenyl-propionaldehyde (104-53-0) + trimethyleneglycol (504-63-2) → 2-(2-phenylethyl)-1,3-dioxane (5663-30-9)

Guidance literature:

With acetonyltriphenylphosphonium bromide; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1081/SCC-120022172

upstream raw materials:

bromobenzene

2-(2-iodoethyl)-1,3-dioxane

3-phenyl-propionaldehyde

trimethyleneglycol

Downstream raw materials:

3-(1-phenethylprop-2-ynyloxy)propan-1-ol

3-hydroxypropyl 3-phenylpropanoate

1-iodo-5-(2-phenylethyl)-4-oxa-6-heptyne

3-(1-phenethylprop-2-ynyloxy)propyl p-toluenesulfonate

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