2-Benzyl-1,3-dioxane

Base Information

Chemical Name:2-Benzyl-1,3-dioxane
CAS No.:5468-00-8
Molecular Formula:C11H14O2
Molecular Weight:178.231
Hs Code.:2934999090
NSC Number:25469
UNII:J5F6K2E9WE
DSSTox Substance ID:DTXSID7063926
Nikkaji Number:J285.776F
Wikidata:Q81991105
Mol file:5468-00-8.mol

Synonyms:2-Benzyl-1,3-dioxane;5468-00-8;1,3-Dioxane, 2-(phenylmethyl)-;2-Phenylmethyl-1,3-dioxane;J5F6K2E9WE;NSC 25469;NSC-25469;Phenyl acetaldehyde cyclic acetal with trimethylene glycol;AI3-14403;NSC25469;UNII-J5F6K2E9WE;SCHEMBL25585;DTXSID7063926;2-(PHENYLMETHYL)-1,3-DIOXANE

Suppliers and Price of 2-Benzyl-1,3-dioxane

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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Total 0 raw suppliers

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

Chemical Property:

Vapor Pressure:0.0128mmHg at 25°C
Boiling Point:268.3°Cat760mmHg
Flash Point:120.6°C
PSA：18.46000
Density:1.068g/cm³
LogP:1.99210
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:135

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1COC(OC1)CC2=CC=CC=C2

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

There total 4 articles about 2-Benzyl-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: 70.0%

: 122-78-1
phenylacetaldehyde

: 504-63-2
trimethyleneglycol

: 5468-00-8
Phenylacetaldehyde trimethylene acetal

Guidance literature:: With toluene-4-sulfonic acid; In benzene; for 10h; Heating;

Reference yield:

: 100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6
styrene

: 504-63-2
trimethyleneglycol

: 5468-00-8
Phenylacetaldehyde trimethylene acetal

: 98-86-2
acetophenone

Guidance literature:: With disodium hydrogenphosphate; oxygen; dichloro bis(acetonitrile) palladium(II); copper(l) chloride; In 1,2-dimethoxyethane; at 65 ℃; for 48h; under 760 Torr; Yield given. Yields of byproduct given;
DOI:10.1246/bcsj.63.166