1-[2-(Methylsulfanyl)phenyl]-2-(triphenyl-lambda~5~-phosphanylidene)propan-1-one

Base Information

• Chemical Name: 1-[2-(Methylsulfanyl)phenyl]-2-(triphenyl-lambda~5~-phosphanylidene)propan-1-one
• CAS No.: 113195-37-2
• Molecular Formula: C28H25OPS
• Molecular Weight: 440.546
• DSSTox Substance ID: DTXSID30551494
• Nikkaji Number: J603.956A
• Wikidata: Q82431187
• Mol file: 113195-37-2.mol

Synonyms:113195-37-2;DTXSID30551494;1-[2-(Methylsulfanyl)phenyl]-2-(triphenyl-lambda~5~-phosphanylidene)propan-1-one

Chemical Property of 1-[2-(Methylsulfanyl)phenyl]-2-(triphenyl-lambda~5~-phosphanylidene)propan-1-one

Chemical Property:

• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 440.13637359
• Heavy Atom Count: 31
• Complexity: 585

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4SC

Technology Process of 1-[2-(Methylsulfanyl)phenyl]-2-(triphenyl-lambda~5~-phosphanylidene)propan-1-one

There total 2 articles about 1-[2-(Methylsulfanyl)phenyl]-2-(triphenyl-lambda~5~-phosphanylidene)propan-1-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:

ethyltriphenylphosphonium bromide (1530-32-1) + 2-methylsulfanyl-benzoyl chloride (1442-03-1) → 1-(2-methylsulfanylbenzoyl)ethylidene(triphenyl)phosphorane (113195-37-2)

Guidance literature:

With n-butyllithium; Yield given. Multistep reaction; 1) THF, hexane, room temperature, 30 min; 2) THF, hexane, room temperature, 3 h;

DOI:10.1039/P19940002455

Reference yield:

2-methylsulfanyl-benzoyl chloride (1442-03-1) + ethylenetriphenylphosphorane (1754-88-7) → 1-(2-methylsulfanylbenzoyl)ethylidene(triphenyl)phosphorane (113195-37-2)

Guidance literature:

DOI:10.1016/S0040-4039(00)96366-4

Reference yield: 17.0%

1-(2-methylsulfanylbenzoyl)ethylidene(triphenyl)phosphorane (113195-37-2) → 2-Methylbenzothiophene (1195-14-8) + 2-ethylbenzo[b]thiophene (1196-81-2)

Guidance literature:

at 850 ℃; flash vacuum pyrolysis;

DOI:10.1016/S0040-4039(00)96366-4

upstream raw materials:

ethyltriphenylphosphonium bromide

2-methylsulfanyl-benzoyl chloride

ethylenetriphenylphosphorane

Downstream raw materials:

2-Methylbenzothiophene

2-ethylbenzo[b]thiophene

Triphenylphosphine oxide

1-methylsulfanyl-2-(prop-1-ynyl)benzene