2,2'-(Phenylphosphoryl)di(benzene-1-thiol)

Base Information

• Chemical Name: 2,2'-(Phenylphosphoryl)di(benzene-1-thiol)
• CAS No.: 119327-21-8
• Molecular Formula: C18H15OPS2
• Molecular Weight: 342.422
• DSSTox Substance ID: DTXSID20572512
• Nikkaji Number: J2.551.637K
• Wikidata: Q82460879

Synonyms:119327-21-8;DTXSID20572512;2,2'-(Phenylphosphoryl)di(benzene-1-thiol)

Chemical Property of 2,2'-(Phenylphosphoryl)di(benzene-1-thiol)

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 342.03019444
• Heavy Atom Count: 22
• Complexity: 382

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2S)C3=CC=CC=C3S

Technology Process of 2,2'-(Phenylphosphoryl)di(benzene-1-thiol)

There total 1 articles about 2,2'-(Phenylphosphoryl)di(benzene-1-thiol) 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:

P,P-dichlorophenylphosphine oxide (824-72-6) + thiophenol (108-98-5) → C18H15OPS2 (119327-21-8)

Guidance literature:

With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; Yield given. Multistep reaction; 1.) hexane, 2.) THF, -78 deg C to room temp., overnight;

DOI:10.1021/ja00188a071

Reference yield: 93.0%

C18H15OPS2 (119327-21-8) → 11-Phenyl-11H-dibenzo<1,2,5>dithiaphosphepin-11-oxide (119327-28-5)

Guidance literature:

With dimethyl sulfoxide; at 90 ℃; for 24h;

DOI:10.1021/ja00188a071

Reference yield: 74.0%

1,4-dibromo-butane (110-52-1) + C18H15OPS2 (119327-21-8) → 2-Phenyl-9,14-dithia-2-phospha-tricyclo[13.4.0.03,8]nonadeca-1(19),3(8),4,6,15,17-hexaene 2-oxide (141874-83-1)

Guidance literature:

With potassium carbonate; In acetonitrile; Ambient temperature;

DOI:10.1016/0040-4039(92)88152-U

upstream raw materials:

P,P-dichlorophenylphosphine oxide

thiophenol

Downstream raw materials:

2-Phenyl-9,14-dithia-2-phospha-tricyclo[13.4.0.0^3,8]nonadeca-1⁽¹⁹⁾,3⁽⁸⁾,4,6,15,17-hexaene 2-oxide

11-Phenyl-11H-dibenzo<1,2,5>dithiaphosphepin-11-oxide

(9R,14R)-2-Phenyl-9,14-dithia-2-phospha-tricyclo[13.4.0.0^3,8]nonadeca-1⁽¹⁹⁾,3⁽⁸⁾,4,6,15,17-hexaene 2,9,14-trioxide

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