2,3-diphenyl-1,4-dioxane

Base Information

• Chemical Name: 2,3-diphenyl-1,4-dioxane
• CAS No.: 16653-21-7
• Molecular Formula: C₁₆H₁₆O₂
• Molecular Weight: 240.302
• NSC Number: 114506
• DSSTox Substance ID: DTXSID70297147
• Mol file: 16653-21-7.mol

Synonyms:p-Dioxane,2,3-diphenyl- (6CI,7CI,8CI); NSC 114506

Chemical Property of 2,3-diphenyl-1,4-dioxane

Chemical Property:

• Vapor Pressure: 4.1E-05mmHg at 25°C
• Boiling Point: 362.2°Cat760mmHg
• Flash Point: 189.4°C
• Density: 1.107g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 240.115029749
• Heavy Atom Count: 18
• Complexity: 216

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC(C(O1)C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of 2,3-diphenyl-1,4-dioxane

There total 4 articles about 2,3-diphenyl-1,4-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:

phenylmagnesium bromide + trans-2,3-dichloro-1,4-dioxane (95-59-0,3883-42-9,3883-43-0) → cis-2,3-diphenyl-[1,4]dioxane (4336-10-1) + (+/-)-trans-2,3-diphenyl-[1,4]dioxane (4336-10-1,4336-11-2,16653-21-7)

Guidance literature:

With diethyl ether;

DOI:10.1021/ja01338a036 DOI:10.1021/ja01315a009 DOI:10.1021/ja01512a032

Reference yield:

phenylmagnesium bromide → (+/-)-trans-2,3-diphenyl-[1,4]dioxane (4336-10-1,4336-11-2,16653-21-7)

Guidance literature:

With diethyl ether;

DOI:10.1021/ja01315a009

Reference yield:

2-hydroxy-2-phenylacetophenone (119-53-9,579-44-2) → (+/-)-trans-2,3-diphenyl-[1,4]dioxane (4336-10-1,4336-11-2,16653-21-7)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene-4-sulfonic acid

2: benzene; (+/-)-pentan-2-ol; sodium

With (+/-)-2-pentanol; sodium; toluene-4-sulfonic acid; benzene;

DOI:10.1021/ja01512a032

upstream raw materials:

5,6-Diphenyl-2,3-dihydro-[1,4]dioxine

trans-2,3-dichloro-1,4-dioxane

2-hydroxy-2-phenylacetophenone

Downstream raw materials:

2,3-dichloro-2,3-diphenyl-[1,4]dioxane

2,3-diethoxy-2,3-diphenyldioxane