1-Phenylpentan-3-one

Base Information

• Chemical Name: 1-Phenylpentan-3-one
• CAS No.: 20795-51-1
• Molecular Formula: C11H14O
• Molecular Weight: 162.232
• Hs Code.: 2914399090
• European Community (EC) Number: 244-045-6
• UNII: VEP8CR4F7Z
• DSSTox Substance ID: DTXSID10174882
• Nikkaji Number: J191.476F
• Wikidata: Q72498091
• Mol file: 20795-51-1.mol

Synonyms:1-Phenylpentan-3-one;1-Phenyl-3-pentanone;20795-51-1;1-Phenyl-pentan-3-one;3-Pentanone, 1-phenyl-;AI3-21915;VEP8CR4F7Z;EINECS 244-045-6;5phenylpentan-3-one;UNII-VEP8CR4F7Z;SCHEMBL1874;DTXSID10174882;MFCD00027025;AKOS009389875;CS-0245904;FT-0638048;EN300-313191;F87226;(4-ETHYL-BIPHENYL-4-YLMETHYL)-HYDRAZINE;A814906

Chemical Property of 1-Phenylpentan-3-one

Chemical Property:

• Vapor Pressure: 0.034mmHg at 25°C
• Refractive Index: 1.5
• Boiling Point: 242.398 °C at 760 mmHg
• Flash Point: 102.668 °C
• PSA: 17.07000
• Density: 0.961 g/cm³
• LogP: 2.59830
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 162.104465066
• Heavy Atom Count: 12
• Complexity: 134

Purity/Quality:

99% ^*data from raw suppliers

1-Phenylpentan-3-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(=O)CCC1=CC=CC=C1

Technology Process of 1-Phenylpentan-3-one

There total 77 articles about 1-Phenylpentan-3-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: 98.0%

4-penten-3-one (1629-58-9) + phenylboronic acid (98-80-6) → 1-phenylpentan-3-one (20795-51-1)

Guidance literature:

With [Rh(OH)(cod)]2; In tetrahydrofuran; water; at 40 ℃; for 2h; Inert atmosphere;

DOI:10.1021/ol102674z

Reference yield: 95.0%

triethyl borane (97-94-9) + N-methyl-3-phenyl-N-tosylpropanamide → 1-phenylpentan-3-one (20795-51-1)

Guidance literature:

With [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](3-chloropyridyl)palladium(ll) dichloride; potassium carbonate; In tetrahydrofuran; tert-butyl methyl ether; at 20 ℃; for 24h; Inert atmosphere; Schlenk technique;

DOI:10.3390/molecules23092412

Reference yield: 94.0%

iodobenzene (591-50-4) + ethyl 3-hydroxy-2-methylidenepentanoate (147849-96-5) → 1-phenylpentan-3-one (20795-51-1)

Guidance literature:

With palladium 10% on activated carbon; sodium carbonate; In ethanol; water; at 100 ℃; for 6h;

DOI:10.5012/bkcs.2013.34.1.325

upstream raw materials:

diethyl ether

N,N-diethyl-3-phenylpropanamide

ethylmagnesium bromide

1-phenyl-pent-1-en-3-one

Downstream raw materials:

N-(1-ethyl-3-phenyl-propyl)-formamide

2-methyl-3-oxo-5-phenylpentanal

2-ethyl-4-phenyl-butan-1-ol

2,6-dimethylphenyl (E)-3-ethyl-5-phenyl-2-pentenoate

Refernces

• 1、 Matsumoto, Shoji,Marumoto, Hayato,Akazome, Motohiro,Otani, Yasuhiko,Kaiho, Tatsuo. "Chemoselective reduction of ?,￠-unsaturated carbonyl and carboxylic compounds by hydrogen iodide". . p. 590 - 599. Retrieved 2021/03/29.
• 2、 Kirinde Arachchige, Pandula T.,Handunneththige, Suhashini,Talipov, Marat R.,Kalutharage, Nishantha,Yi, Chae S.. "Scope and Mechanism of the Redox-Active 1,2-Benzoquinone Enabled Ruthenium-Catalyzed Deaminative α-Alkylation of Ketones with Amines". . p. 13962 - 13972. Retrieved 2021/11/20.