2,2-Dimethyl-5-[(4-nitrophenyl)methylidene]-1,3-dioxane

Base Information

• Chemical Name: 2,2-Dimethyl-5-[(4-nitrophenyl)methylidene]-1,3-dioxane
• CAS No.: 104143-49-9
• Molecular Formula: C13H15NO4
• Molecular Weight: 249.266
• DSSTox Substance ID: DTXSID80514155
• Nikkaji Number: J457.236J
• Mol file: 104143-49-9.mol

Synonyms:104143-49-9;SCHEMBL3265547;2,2-Dimethyl-5-[(4-nitrophenyl)methylidene]-1,3-dioxane;DTXSID80514155;2,2-dimethyl-5-(4-nitro-benzylidene)-1,3-dioxane

Chemical Property of 2,2-Dimethyl-5-[(4-nitrophenyl)methylidene]-1,3-dioxane

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 249.10010796
• Heavy Atom Count: 18
• Complexity: 325

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(OCC(=CC2=CC=C(C=C2)[N+](=O)[O-])CO1)C

Technology Process of 2,2-Dimethyl-5-[(4-nitrophenyl)methylidene]-1,3-dioxane

There total 5 articles about 2,2-Dimethyl-5-[(4-nitrophenyl)methylidene]-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: 94.0%

2,2-dimethyl 5-nitro 5-p-nitrobenzyl 1,3-dioxane (104143-48-8) → 2,2-dimethyl 5-p-nitrobenzylidene 1,3-dioxane (104143-49-9)

Guidance literature:

With sodium methylate; In methanol; for 48h; Heating;

DOI:10.1016/0223-5234(91)90120-C

Reference yield: 85.0%

4-nitrobenzyl chloride (100-14-1) + C6H10NO4(1-) (104143-47-7) → 2,2-dimethyl 5-nitro 5-p-nitrobenzyl 1,3-dioxane (104143-48-8) + 2,2-dimethyl 5-p-nitrobenzylidene 1,3-dioxane (104143-49-9)

Guidance literature:

In methanol; for 24h;

DOI:10.1016/S0040-4039(00)98882-8

Reference yield: 84.0%

4-nitrobenzyl chloride (100-14-1) + 2,2-dimethyl-5-nitro-1,3-dioxane lithium salt → 2,2-dimethyl 5-p-nitrobenzylidene 1,3-dioxane (104143-49-9)

Guidance literature:

With sodium methylate; In methanol; for 24h; Irradiation;

upstream raw materials:

2,2-dimethyl 5-nitro 5-p-nitrobenzyl 1,3-dioxane

4-nitrobenzyl chloride

C₆H₁₀NO₄^(1-)

2,2-dimethyl-5-nitro-1,3-dioxane

Downstream raw materials:

2-(4-nitrobenzylidene)propane-1,3-diol

C₂₁H₃₃Cl₂N₃O₆P₂

C₁₉H₃₁N₃O₆P₂