Phenylacetaldehyde glyceryl acetal

Base Information

• Chemical Name: Phenylacetaldehyde glyceryl acetal
• CAS No.: 5694-72-4
• Molecular Formula: C11H14 O3
• Molecular Weight: 194.23
• European Community (EC) Number: 249-934-2,227-164-8
• UNII: BD92587FZX
• DSSTox Substance ID: DTXSID201014563
• Nikkaji Number: J34.825B
• Wikidata: Q27274610
• Metabolomics Workbench ID: 49399
• Mol file: 5694-72-4.mol

Synonyms:Phenylacetaldehyde glyceryl acetal;(2-benzyl-1,3-dioxolan-4-yl)methanol;5694-72-4;29895-73-6;FEMA 2877;1,3-Dioxolane-4-methanol, 2-(phenylmethyl)-;2-Benzyl-4-hydroxymethyl-1,3-dioxolane;2-Benzyl-4-methanol-1,3-dioxane;2-Benzyl-1,3-dioxolan-4-ylmethanol;2-Benzyl-4-hydroxymethyl-1,3-dioxane;FEMA No. 2877;4-Hydroxymethyl-2-benzyl-1,3-dioxolane;1,2-hyacinth acetal;4-(Hydroxymethyl)-2-benzyl-1,3-dioxolane;1,3-DIOXOLANE-4-METHANOL, 2-BENZYL-;EINECS 227-164-8;UNII-O83PGM07WT;UNII-BD92587FZX;2-Benzyl-5-hydroxymethyl-1,3-dioxolane;1,3-Dioxolane, 2-benzyl-4-hydroxymethyl-;BD92587FZX;5-Hydroxy-2-benzyl-1,3-dioxan;EINECS 249-934-2;2-Benzyl-1,3-dioxolane-4-methanol;Benzeneacetaldehyde, cyclic acetal with 1,2,3-propanetriol;5-Hydroxymethyl-2-benzyl-1,3-dioxolane;2-(Phenylmethyl)-1,3-Dioxolane-4-methanol;Benzeneacetaldehyde, cyclic acetal with glycerol;Acetaldehyde, phenyl-, cyclic acetal with glycerol;Benzeneacetaldehyde 1,2,3-propanetriol cyclic acetal;O83PGM07WT;SCHEMBL216883;CHEBI:173951;DTXSID201014563;AKOS006272753;LS-62575;FEMA NO. 2877, 1,3-DIOXOLANE-;1,3-Dioxolane-4-methanol,2-(phenylmethyl)-;2 - benzyl - 1,3 - dioxolan - 4 - ylmethanol;Q27274610;(+/-)-4-HYDROXYMETHYL-2-BENZYL-1,3-DIOXOLANE

Chemical Property of Phenylacetaldehyde glyceryl acetal

Chemical Property:

• Refractive Index: 1.5030 (estimate)
• Boiling Point: 316.9°Cat760mmHg
• Flash Point: 156.5°C
• PSA: 38.69000
• Density: 1.158g/cm³
• LogP: 0.96290
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 166

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(OC(O1)CC2=CC=CC=C2)CO

Technology Process of Phenylacetaldehyde glyceryl acetal

There total 3 articles about Phenylacetaldehyde glyceryl acetal 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:

phenylacetaldehyde (122-78-1) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → (2-benzyl-1,3-dioxolan-4-yl)methanol (5694-72-4) + 2-benzyl-5-hydroxy-1,3-dioxane (4740-79-8)

Guidance literature:

With sulphuric acid activated bentonite clay; at 60 ℃; for 1h; Reagent/catalyst;

DOI:10.1039/c5ra15817f

Reference yield:

phenylacetaldehyde (122-78-1) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → trans-2-benzyl-5-hydroxy-1,3-dioxane (4740-79-8) + cis-2-benzyl-5-hydroxy-1,3-dioxane (4740-79-8) + (2-benzyl-1,3-dioxolan-4-yl)methanol (5694-72-4)

Guidance literature:

With toluene-4-sulfonic acid; at 50 ℃; for 9.5h;

Reference yield:

1-(2-methoxyvinyl)benzene (4747-15-3) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → (2-benzyl-1,3-dioxolan-4-yl)methanol (5694-72-4) + 2-benzyl-5-hydroxy-1,3-dioxane (4740-79-8)

Guidance literature:

With toluene-4-sulfonic acid; at 90 - 100 ℃; for 1h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

upstream raw materials:

1-(2-methoxyvinyl)benzene

glycerol

phenylacetaldehyde

Refernces

• 1、 -. "New technology for synthesizing 1,3-propylene glycol from glycerin through dehydroxylation method". Paragraph 0032; 0033; 0034; 0035. . Retrieved 2017/05/12.
• 2、 Tarasova, O. A.,Mikhailova, A. I.,Shmidt, E. Yu.,Polovnikova, R. I.,Trofimov, B. A.. "NUCLEOPHILIC ADDITION TO ALKYNES IN SUPERBASIC CATALYTIC SYSTEMS. IV. VINYLATION OF ALCOHOLS BY PHENYLACETYLENE. A PATH TO PHENYLACETALDEHYDE AND ITS ACETALS". . p. 860 - 862. Retrieved 2007/10/02.