Phosphorosooxymethylbenzene

Base Information

• Chemical Name: Phosphorosooxymethylbenzene
• CAS No.: 18108-16-2
• Molecular Formula: C7H9O2P
• Molecular Weight: 156.121
• DSSTox Substance ID: DTXSID70542543
• Wikidata: Q82419248
• Mol file: 18108-16-2.mol

Synonyms:benzyl phosphinate;phosphorosooxymethylbenzene;18108-16-2;SCHEMBL1409010;SCHEMBL1683301;DTXSID70542543

Chemical Property of Phosphorosooxymethylbenzene

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 154.01836646
• Heavy Atom Count: 10
• Complexity: 99.8

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COP=O

Technology Process of Phosphorosooxymethylbenzene

There total 1 articles about Phosphorosooxymethylbenzene 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:

→ benzyl hypophosphite (18108-16-2)

Guidance literature:

With hypophosphorous acid; In water; toluene; for 2h; Reflux; Inert atmosphere; Dean-Stark;

Reference yield: 76.0%

benzyl hypophosphite (18108-16-2) + methyl iodide (74-88-4) → methyl-o-benzylphosphinic acid (80902-08-5)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 2h;

DOI:10.1055/s-2005-924768

Reference yield: 66.0%

Diethyl allylphosphonate (1067-87-4) + benzyl hypophosphite (18108-16-2) → diethyl {3-[(benzyloxy)phosphonoyl]propyl}phosphonate (1391838-29-1)

Guidance literature:

With 4,5’-bis(diphenylphosphino)-9,9’-dimethylxanthene; palladium 10% on activated carbon; In acetonitrile; for 18h; Reflux; Inert atmosphere;

DOI:10.1002/ejoc.201200210

Downstream raw materials:

1-benzyloxy-1-oxo-2,4,6-triphenyl-1λ⁵-phosphinane-2,6-diol

benzyl benzyl-H-phosphinate

allylphosphinic acid benzyl ester

methyl-o-benzylphosphinic acid

Refernces