2-Benzyl-1,3-dioxan-5-ol

Base Information

• Chemical Name: 2-Benzyl-1,3-dioxan-5-ol
• CAS No.: 4740-79-8
• Deprecated CAS: 2135553-39-6
• Molecular Formula: C11H14O3
• Molecular Weight: 194.2271
• European Community (EC) Number: 225-249-4
• UNII: SC0BU1F8LI
• DSSTox Substance ID: DTXSID4063589
• Nikkaji Number: J262.423K
• Wikidata: Q27289132
• Metabolomics Workbench ID: 49398
• Mol file: 4740-79-8.mol

Synonyms:2-Benzyl-1,3-dioxan-5-ol;5-Hydroxy-2-benzyl-1,3-dioxane;4740-79-8;1,3-Dioxan-5-ol, 2-(phenylmethyl)-;1,3-hyacinth acetal;UNII-SC0BU1F8LI;2-(phenylmethyl)-1,3-dioxan-5-ol;SC0BU1F8LI;m-Dioxan-5-ol, 2-benzyl-;EINECS 225-249-4;SCHEMBL1558896;DTXSID4063589;CHEBI:173950;2-benzyl-5-hydroxy-1,3-dioxane;2-(Phenylmethyl)-1,3-dioxan-5-ol, 9CI;FEMA NO. 2877, 1,3-DIOXANE-;2 - benzyl - 1,3 - dioxan - 5 - ol;A828107;Q27289132

Chemical Property of 2-Benzyl-1,3-dioxan-5-ol

Chemical Property:

• Vapor Pressure: 4.05E-05mmHg at 25°C
• Boiling Point: 337.6°Cat760mmHg
• Flash Point: 158°C
• PSA: 38.69000
• Density: 1.185g/cm³
• LogP: 0.96290
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(COC(O1)CC2=CC=CC=C2)O

Technology Process of 2-Benzyl-1,3-dioxan-5-ol

There total 6 articles about 2-Benzyl-1,3-dioxan-5-ol 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:

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;

upstream raw materials:

1-(2-methoxyvinyl)benzene

glycerol

phenylacetaldehyde

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