4H-1,3-Dioxin

Base Information

• Chemical Name: 4H-1,3-Dioxin
• CAS No.: 290-13-1
• Molecular Formula: C4H6O2
• Molecular Weight: 86.0904
• DSSTox Substance ID: DTXSID10449067
• Nikkaji Number: J851.723A
• Wikidata: Q82268384
• Mol file: 290-13-1.mol

Synonyms:4H-1,3-DIOXIN;290-13-1;1,3-dioxin;DTXSID10449067

Chemical Property of 4H-1,3-Dioxin

Chemical Property:

• Boiling Point: 93.5-94.5 °C
• PSA: 18.46000
• Density: 1.052±0.06 g/cm3(Predicted)
• LogP: 0.50440
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 86.036779430
• Heavy Atom Count: 6
• Complexity: 58.6

Purity/Quality:

99% ^*data from raw suppliers

4H-1,3-DIOXIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=COCO1

Technology Process of 4H-1,3-Dioxin

There total 1 articles about 4H-1,3-Dioxin 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:

1,3-dioxane (505-22-6) → propan-1-ol (71-23-8) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1,3-dioxine (290-13-1) + ethene (74-85-1) + propyl methanoate (110-74-7) + allyl alcohol (107-18-6)

Guidance literature:

Mechanism; Product distribution; Quantum yield; Heating; 185 nm vacuum-ultraviolet photolysis;

Reference yield: 85.0%

iodobenzene (591-50-4) + 1,3-dioxine (290-13-1) → 4-phenyl-4H-1,3-dioxin (145372-92-5,145415-64-1)

Guidance literature:

With silver carbonate; palladium diacetate; triphenylphosphine; In N,N-dimethyl-formamide; at 60 ℃; for 48h; various bases, solvents; other substrates; enantioselectivity;

DOI:10.1016/S0040-4039(00)61791-4

Reference yield: 72.0%

1,3-dioxine (290-13-1) + para-iodoanisole (696-62-8) → 4-(4-Methoxy-phenyl)-4H-[1,3]dioxine (145372-93-6)

Guidance literature:

With silver carbonate; palladium diacetate; triphenylphosphine; In N,N-dimethyl-formamide; at 60 ℃; for 24h;

DOI:10.1016/S0040-4039(00)61791-4

upstream raw materials:

1,3-dioxane

Downstream raw materials:

4-(4-Nitro-phenyl)-4H-[1,3]dioxine

4-phenyl-4H-1,3-dioxin

4-(4-Methoxy-phenyl)-4H-[1,3]dioxine

4-(4H-[1,3]Dioxin-4-yl)-benzoic acid ethyl ester

Refernces