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

Base Information

• Chemical Name: 2-Methyl-2H-1,3,2lambda~5~-benzodioxaphosphol-2-one
• CAS No.: 13969-05-6
• Molecular Formula: C7H7O3P
• Molecular Weight: 170.105
• DSSTox Substance ID: DTXSID70513995
• Wikidata: Q82374062
• Mol file: 13969-05-6.mol

Synonyms:13969-05-6;SCHEMBL2169864;2-Methyl-2H-1,3,2lambda~5~-benzodioxaphosphol-2-one;DTXSID70513995

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

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 170.01328108
• Heavy Atom Count: 11
• Complexity: 186

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CP1(=O)OC2=CC=CC=C2O1

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

There total 3 articles about 2-Methyl-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-benzyloxy-4,5-benzo-1,3,2-dioxaphospholane (69626-77-3) → 2-methyl-2-oxo-4,5-benzo-1,3,2-dioxaphospholane (13969-05-6) + 2-benzyl-2-oxo-4,5-benzo-1,3,2-dioxaphospholane (139331-10-5)

Guidance literature:

With methyl iodide; at 160 ℃; for 10h; Title compound not separated from byproducts;

DOI:10.1007/BF00959730

Reference yield:

2-benzyloxy-4,5-benzo-1,3,2-dioxaphospholane (69626-77-3) + methyl iodide (74-88-4) → 2-methyl-2-oxo-4,5-benzo-1,3,2-dioxaphospholane (13969-05-6) + 2-benzyl-2-oxo-4,5-benzo-1,3,2-dioxaphospholane (139331-10-5)

Guidance literature:

at 160 ℃; for 10h; Title compound not separated from byproducts;

DOI:10.1007/BF00959730

Reference yield:

2,2-'spirobi(1,3,2-benzodioxaphosphole) (181-85-1) + dimethyl phenylphosphonate (2240-41-7) → 2-phenyl-1,3,2-benzodioxaphosphole-2-oxide (40156-85-2) + 2-methyl-2-oxo-4,5-benzo-1,3,2-dioxaphospholane (13969-05-6)

Guidance literature:

for 3.5h; Heating;

upstream raw materials:

2-benzyloxy-4,5-benzo-1,3,2-dioxaphospholane

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

dimethyl phenylphosphonate

methyl iodide

Downstream raw materials:

o-hydroxyphenylmethylphosphonate

o-hydroxyphenylpropylmethylphosphonate

o-hydroxyphenylmethylphosphonate triethylammonium salt

o-benzoylhydroxyphenylpropylmethylphosphonate