1-Phenyl-3,3-diethylpentyne

Base Information

• Chemical Name: 1-Phenyl-3,3-diethylpentyne
• CAS No.: 80025-09-8
• Molecular Formula: C15H20
• Molecular Weight: 200.324
• DSSTox Substance ID: DTXSID90230016
• Wikidata: Q83110399
• Mol file: 80025-09-8.mol

Synonyms:1-Phenyl-3,3-diethylpentyne;80025-09-8;DTXSID90230016

Chemical Property of 1-Phenyl-3,3-diethylpentyne

Chemical Property:

• Vapor Pressure: 0.00506mmHg at 25°C
• Boiling Point: 284.6°Cat760mmHg
• Flash Point: 121.9°C
• Density: 0.9g/cm³
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 200.156500638
• Heavy Atom Count: 15
• Complexity: 219

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC)(CC)C#CC1=CC=CC=C1

Technology Process of 1-Phenyl-3,3-diethylpentyne

There total 3 articles about 1-Phenyl-3,3-diethylpentyne 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: 56.0%

3-ethyl-2-pentene (816-79-5) + 1-methyl-4-((phenylethynyl)sulfonyl)benzene (28995-88-2) → (3,3-diethylpent-1-yn-1-yl)benzene (80025-09-8)

Guidance literature:

With iron(III)-acetylacetonate; phenylsilane; In ethanol; ethylene glycol; at 35 ℃; for 12h; Schlenk technique; Inert atmosphere;

DOI:10.3390/molecules27010033

Reference yield:

triethylcarbinyl bromide (73908-04-0) + phenylacetylene (536-74-3) → (3,3-diethylpent-1-yn-1-yl)benzene (80025-09-8)

Guidance literature:

With magnesium; Yield given. Multistep reaction; 2.) ether, 20h, reflux;

Reference yield:

3-ethylpentane (617-78-7) + 1-Bromo-2-phenylacetylene (932-87-6) → C15H20 + (3,3-diethylpent-1-yn-1-yl)benzene (80025-09-8)

Guidance literature:

With potassium acetate; 4,4'-Dichlorobenzophenone; at 20 ℃; Inert atmosphere; Irradiation;

DOI:10.1002/chem.202001259

upstream raw materials:

triethylcarbinyl bromide

phenylacetylene

3-ethylpentane

1-Bromo-2-phenylacetylene

Refernces

• 1、 Adak, Tapas,Hoffmann, Marvin,Witzel, Sina,Rudolph, Matthias,Dreuw, Andreas,Hashmi, A. Stephen K.. "Visible Light-Enabled sp3-C?H Functionalization with Chloro- and Bromoalkynes: Chemoselective Route to Vinylchlorides or Alkynes". supporting information. p. 15573 - 15580. Retrieved 2020/10/19.