2,4,3-Benzodioxaphosphepin, 1,5-dihydro-3-phenyl-, 3-oxide

Base Information

• Chemical Name: 2,4,3-Benzodioxaphosphepin, 1,5-dihydro-3-phenyl-, 3-oxide
• CAS No.: 133611-21-9
• Molecular Formula: C14H13O3P
• Molecular Weight: 260.229
• DSSTox Substance ID: DTXSID80382659
• Nikkaji Number: J471.798H
• Wikidata: Q82174011
• Mol file: 133611-21-9.mol

Synonyms:133611-21-9;2,4,3-Benzodioxaphosphepin, 1,5-dihydro-3-phenyl-, 3-oxide;DTXSID80382659;1,5-Dihydro-3-phenyl-2,4,3-benzodioxaphosphepin 3-oxide

Chemical Property of 2,4,3-Benzodioxaphosphepin, 1,5-dihydro-3-phenyl-, 3-oxide

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 260.06023127
• Heavy Atom Count: 18
• Complexity: 305

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=CC=CC=C2COP(=O)(O1)C3=CC=CC=C3

Technology Process of 2,4,3-Benzodioxaphosphepin, 1,5-dihydro-3-phenyl-, 3-oxide

There total 5 articles about 2,4,3-Benzodioxaphosphepin, 1,5-dihydro-3-phenyl-, 3-oxide 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%

P,P-dichlorophenylphosphine oxide (824-72-6) + phthalyl alcohol (612-14-6) → 2-phenyl-2-oxo-5,6-benzo-1,3,2-dioxaphosphepine (133611-21-9)

Guidance literature:

With triethylamine; In dichloromethane; at 0 ℃; for 0.25h;

DOI:10.1007/BF00959663

Reference yield:

1,5-Dihydro-3-phenyl-2,4,3-benzodioxaphosphepin (69813-55-4) → 2-phenyl-2-oxo-5,6-benzo-1,3,2-dioxaphosphepine (133611-21-9)

Guidance literature:

With dihydrogen peroxide; In dichloromethane; at 20 ℃;

DOI:10.1002/hc.20154

Reference yield:

3-bromo-1,5-dihydro-benzo[e][1,3,2]dioxaphosphepine (897927-39-8) → 2-phenyl-2-oxo-5,6-benzo-1,3,2-dioxaphosphepine (133611-21-9)

Guidance literature:

Multi-step reaction with 2 steps

1: CH₂Cl₂ / 20 °C

2: hydrogen peroxide / CH₂Cl₂ / 20 °C

With dihydrogen peroxide; In dichloromethane;

DOI:10.1002/hc.20154

upstream raw materials:

P,P-dichlorophenylphosphine oxide

phthalyl alcohol

1,5-Dihydro-3-phenyl-2,4,3-benzodioxaphosphepin

3-bromo-1,5-dihydro-benzo[e][1,3,2]dioxaphosphepine