Phenyl-phosphonothioic acid diphenyl ester

Base Information

• Chemical Name: Phenyl-phosphonothioic acid diphenyl ester
• CAS No.: 88239-51-4
• Molecular Formula: C18H15 O2 P S
• Molecular Weight: 326.349261
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID20469973
• Wikidata: Q82297921
• Mol file: 88239-51-4.mol

Synonyms:88239-51-4;PHENYL-PHOSPHONOTHIOICACIDDIPHENYLESTER;PHENYL-PHOSPHONOTHIOIC ACID DIPHENYL ESTER;SCHEMBL408022;DTXSID20469973;AKOS015965762;O,O-DIPHENYL PHENYLPHOSPHONOTHIOATE

Chemical Property of Phenyl-phosphonothioic acid diphenyl ester

Chemical Property:

• PSA: 60.36000
• LogP: 5.43000
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 326.05303789
• Heavy Atom Count: 22
• Complexity: 345

Purity/Quality:

99% ^*data from raw suppliers

PHENYL-PHOSPHONOTHIOIC ACID DIPHENYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OP(=S)(C2=CC=CC=C2)OC3=CC=CC=C3

Technology Process of Phenyl-phosphonothioic acid diphenyl ester

There total 2 articles about Phenyl-phosphonothioic acid diphenyl ester 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:

phenol (108-95-2,27073-41-2) + phenylthiophosphonic acid dichloride (3497-00-5) → O,O'-diphenyl phenylphosphonothioate (88239-51-4)

Guidance literature:

With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In benzene; for 0.75h; Yield given; Ambient temperature;

Reference yield:

diphenyl phenylphosphonite (13410-61-2) → O,O'-diphenyl phenylphosphonothioate (88239-51-4)

Guidance literature:

With sulfur; In toluene; at 24.85 ℃; Further Variations:; Reagents; Kinetics;

DOI:10.1080/10426509808545471

Reference yield:

O,O'-diphenyl phenylphosphonothioate (88239-51-4) → O-phenyl phenylphosphonothioic acid (100277-95-0)

Guidance literature:

With potassium hydroxide; In 1,4-dioxane; water; at 45 ℃; for 8h;

DOI:10.1021/jo052020v

upstream raw materials:

phenol

phenylthiophosphonic acid dichloride

diphenyl phenylphosphonite

Downstream raw materials:

O-phenyl phenylphosphonothioic acid

phenylphosphonothioic acid