Ethanone, 1-[1-(diphenylphosphino)-1H-pyrrol-2-yl]-

Base Information

• Chemical Name: Ethanone, 1-[1-(diphenylphosphino)-1H-pyrrol-2-yl]-
• CAS No.: 358640-82-1
• Molecular Formula: C18H16NOP
• Molecular Weight: 293.30000
• DSSTox Substance ID: DTXSID90448553
• Nikkaji Number: J1.534.819D
• Wikidata: Q82267602
• Mol file: 358640-82-1.mol

Synonyms:358640-82-1;1-(1-(Diphenylphosphino)-1H-pyrrol-2-yl)ethanone;Ethanone, 1-[1-(diphenylphosphino)-1H-pyrrol-2-yl]-;DTXSID90448553;1-(Diphenylphosphino)-2-acetyl-1H-pyrrole

Chemical Property of Ethanone, 1-[1-(diphenylphosphino)-1H-pyrrol-2-yl]-

Chemical Property:

• Boiling Point: 450.3±37.0 °C(Predicted)
• PSA: 35.59000
• LogP: 3.58670
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 293.096951132
• Heavy Atom Count: 21
• Complexity: 329

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC=CN1P(C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of Ethanone, 1-[1-(diphenylphosphino)-1H-pyrrol-2-yl]-

There total 1 articles about Ethanone, 1-[1-(diphenylphosphino)-1H-pyrrol-2-yl]- 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: 77.0%

2-Acetylpyrrole (1072-83-9) + chloro-diphenylphosphine (1079-66-9,74391-44-9) → 2-acetyl-1-(diphenylphosphanyl)pyrrole (358640-82-1)

Guidance literature:

With triethylamine; In tetrahydrofuran; for 6h; Heating;

DOI:10.1002/1099-0690(200110)2001:20<3871::AID-EJOC3871>3.0.CO;2-V

Reference yield: 97.0%

chloro(1,5-cyclooctadiene)rhodium(I) dimer + 2-acetyl-1-(diphenylphosphanyl)pyrrole (358640-82-1) → [Rh(PPh2(NC4H3C(O)Me-2)-κ2P,O)2]Cl (676256-08-9)

Guidance literature:

In dichloromethane; (N2 or Ar); stirring for 90 min; evapn. (vac.), washing with cold hexane, drying (vac.);

DOI:10.1039/b306292a

Reference yield: 92.0%

di(rhodium)tetracarbonyl dichloride + 2-acetyl-1-(diphenylphosphanyl)pyrrole (358640-82-1) → trans-[RhCl(CO)(PPh2(NC4H3C(O)Me-2))2] (420086-95-9)

Guidance literature:

In toluene; byproducts: CO; (N2 or Ar); stirring for 30 min; filtration, washing with toluene and hexane, drying (vac.); elem. anal.;

DOI:10.1039/b306292a

upstream raw materials:

2-Acetylpyrrole

chloro-diphenylphosphine

Downstream raw materials:

trans-[RhCl(CO)(PPh₂(NC₄H₃C(O)Me-2))2]

[Rh(PPh2(NC4H3C(O)Me-2)-κ2P,O)2]Cl

[Mo(CO)2(P(C₆H₅)2)NC₄H₃(CO)CH₃(C₅H₅)]⁽¹⁺⁾*BF₄^(1-)=[Mo(CO)2(P(C₆H₅)2)NC₄H₃(CO)CH₃(C₅H₅)]BF₄

MoCl(CO)2(P(C₆H₅)2)NC₄H₃(CO)CH₃(C₅(CH₃)5)