2-Phenoxy-2H-1,3,2lambda~5~-benzodioxaphosphol-2-one

Base Information

• Chemical Name: 2-Phenoxy-2H-1,3,2lambda~5~-benzodioxaphosphol-2-one
• CAS No.: 52961-95-2
• Molecular Formula: C12H9O4P
• Molecular Weight: 248.175
• DSSTox Substance ID: DTXSID70503159
• Wikidata: Q82356750
• Mol file: 52961-95-2.mol

Synonyms:52961-95-2;SCHEMBL4102660;2-Phenoxy-2H-1,3,2lambda~5~-benzodioxaphosphol-2-one;DTXSID70503159

Chemical Property of 2-Phenoxy-2H-1,3,2lambda~5~-benzodioxaphosphol-2-one

Chemical Property:

• Boiling Point: 204 °C(Press: 10 Torr)
• PSA: 54.57000
• Density: 1.41±0.1 g/cm3(Predicted)
• LogP: 3.64490
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 248.02384576
• Heavy Atom Count: 17
• Complexity: 296

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OP2(=O)OC3=CC=CC=C3O2

Technology Process of 2-Phenoxy-2H-1,3,2lambda~5~-benzodioxaphosphol-2-one

There total 12 articles about 2-Phenoxy-2H-1,3,2lambda~5~-benzodioxaphosphol-2-one 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:

2-phenoxy-1,3,2-benzodioxaphosphole (4591-40-6) → 1-methyl-1-phenylethyl alcohol (617-94-7) + 2-phenoxy-2-oxo-4,5-benzo-1,3,2-dioxaphospholane (52961-95-2) + Phosphoric acid 2-hydroxy-phenyl ester phenyl ester (64672-14-6) + acetophenone (98-86-2)

Guidance literature:

With Cumene hydroperoxide; In chlorobenzene; at 30 ℃; Kinetics; Mechanism;

Reference yield:

2-phenoxy-1,3,2-benzodioxaphosphole (4591-40-6) → carbon oxide sulfide (463-58-1) + chloroethane (75-00-3) + 2-phenoxy-2-oxo-4,5-benzo-1,3,2-dioxaphospholane (52961-95-2) + Phenyl-o-phenylenthiophosphat (108668-92-4)

Guidance literature:

With ethoxyoxomethanesulfenyl chloride; In dichloromethane; at 0 ℃; for 1h; Mechanism; other sulfenyl chlorides, other substrates;

Reference yield:

tert.-butylhydroperoxide (75-91-2) + 2-phenoxy-1,3,2-benzodioxaphosphole (4591-40-6) → 2-phenoxy-2-oxo-4,5-benzo-1,3,2-dioxaphospholane (52961-95-2) + tert-butyl alcohol (75-65-0)

Guidance literature:

In chlorobenzene; at 29.9 ℃; Kinetics; other temperature;

upstream raw materials:

o-phenylene chlorophosphate

phenol

2,2-'spirobi(1,3,2-benzodioxaphosphole)

o-Phenylen-phenyl-phosphit-ozonid

Downstream raw materials:

phosphoric acid 2-hydroxyphenyl phosphate

o-phenylene chlorophosphate

2-phenoxy-2,2'-spirobi<1,3,2λ⁵-benzodioxaphosphole>

2-hydroxyphenyl diphenyl phosphate