2,4-Cyclopentadien-1-one, 2,3,4,5-tetrapropyl-

Base Information

• Chemical Name: 2,4-Cyclopentadien-1-one, 2,3,4,5-tetrapropyl-
• CAS No.: 105430-58-8
• Molecular Formula: C17H28O
• Molecular Weight: 248.409
• DSSTox Substance ID: DTXSID20432849
• Nikkaji Number: J1.484.689A
• Wikidata: Q82246966
• Mol file: 105430-58-8.mol

Synonyms:2,4-Cyclopentadien-1-one, 2,3,4,5-tetrapropyl-;105430-58-8;DTXSID20432849;2,3,4,5-tetrapropyl cyclopentadienone;2,3,4,5-Tetrapropyl-2,4-cyclopentadiene-1-one

Chemical Property of 2,4-Cyclopentadien-1-one, 2,3,4,5-tetrapropyl-

Chemical Property:

• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 248.214015512
• Heavy Atom Count: 18
• Complexity: 324

Purity/Quality:

99% ，98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=C(C(=O)C(=C1CCC)CCC)CCC

Technology Process of 2,4-Cyclopentadien-1-one, 2,3,4,5-tetrapropyl-

There total 2 articles about 2,4-Cyclopentadien-1-one, 2,3,4,5-tetrapropyl- 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: 70.0%

Pt(CO(C(C3H7))4)Cl2 (105430-60-2) → bis(triphenylphosphine)platinum(II) dichloride (10199-34-5,14056-88-3,15604-36-1) + 2,3,4,5-tetrapropyl-cyclopenta-2,4-dienone (105430-58-8)

Guidance literature:

With triphenylphosphine; In hexane; under N2, Schlenk tube technique; stirred for 2 h; ppt. filtered off, washed with hexane, dried, resulting compd. identified as Pt(PPH3)2Cl2; hexane soln. dried in a rotary evaporator, resulting solid identified as tetrapropylcyclopentadienone derivative;

Reference yield:

4-Octyne (1942-45-6) + trimethylsilyl isocyanide (18169-72-7) → hexapropylbenzene (2456-68-0) + (4E,6E)-5,6-dipropyldeca-4,6-diene + 2,3,4,5-tetrapropyl-cyclopenta-2,4-dienone (105430-58-8)

Guidance literature:

With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; Multistep reaction; 1) THF, reflux; 2) 6N-HCl;

DOI:10.1016/S0040-4039(00)81847-X

upstream raw materials:

4-Octyne

trimethylsilyl isocyanide

Pt(CO(C(C₃H₇))4)Cl₂

Refernces

• 1、 Garlaschelli, Luigi,Malatesta, Maria Carlotta,Panzeri, Silvia,Albinati, Alberto,Ganazzoli, Fabio. "Reactions of acetylenes with noble metal carbonyl halides. 9. Preparation, chemical characterization, and X-ray structural analysis of [Pt{-C(=O)C(Pr)=C(Pr)C(Pr)=C(Pr)Cl}Cl]2 and the cyclocarbene derivative [Pt{CC(Pr)=C(Pr)C(Pr)=C(Pr)O}(PBU3)2Cl][PF6]". . p. 63 - 72. Retrieved 2008/10/08.