5-Phenylpentan-2-one

Base Information

• Chemical Name: 5-Phenylpentan-2-one
• CAS No.: 2235-83-8
• Molecular Formula: C11H14 O
• Molecular Weight: 162.232
• Hs Code.: 2914399090
• European Community (EC) Number: 218-794-4
• NSC Number: 167086
• UNII: RJ8YU7ZU4E
• DSSTox Substance ID: DTXSID10176886
• Nikkaji Number: J113.061G
• Wikidata: Q83047223
• Mol file: 2235-83-8.mol

Synonyms:5-Phenylpentan-2-one;2235-83-8;2-Pentanone, 5-phenyl-;5-PHENYL-2-PENTANONE;Methyl 3-phenylpropyl ketone;RJ8YU7ZU4E;AI3-11039;EINECS 218-794-4;MFCD01024555;NSC-167086;NSC167086;5-Phenyl-pentan-2-one;UNII-RJ8YU7ZU4E;SCHEMBL110777;DTXSID10176886;CAA23583;AKOS011914312;NSC 167086;MS-22895;SY284211;HY-145613;CS-0376741;F71721;A1-08245

Chemical Property of 5-Phenylpentan-2-one

Chemical Property:

• Vapor Pressure: 0.0117mmHg at 25°C
• Melting Point: 106-107 °C
• Boiling Point: 261.2°Cat760mmHg
• Flash Point: 121.5°C
• PSA: 17.07000
• Density: 0.96g/cm³
• LogP: 2.59830
• XLogP3: 2.4
• 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

5-Phenylpentan-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CCCC1=CC=CC=C1

Technology Process of 5-Phenylpentan-2-one

There total 91 articles about 5-Phenylpentan-2-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: 99.0%

5-phenylpentan-2-ol (2344-71-0) → 5-phenyl-2-pentanone (2235-83-8)

Guidance literature:

With iodine; potassium carbonate; In tert-butyl alcohol; at 90 ℃; for 6h;

DOI:10.1016/j.tet.2005.03.097

Reference yield: 93.0%

5-phenyl-1-pentyne (1823-14-9) → 5-phenyl-2-pentanone (2235-83-8)

Guidance literature:

With water; Aliquat 336; PtCl₄-CO; In various solvent(s); at 110 ℃; for 4h; under 1034.3 Torr;

DOI:10.1021/jo961740m

Reference yield: 88.0%

(E)-5-Phenyl-pent-3-en-2-ol → 5-phenyl-2-pentanone (2235-83-8)

Guidance literature:

Hoveyda-Grubbs catalyst second generation; In dichloromethane; at 200 ℃; for 6.5h;

DOI:10.1021/ol060918g

upstream raw materials:

2-(3-phenyl-propyl)-oxirane

(E)-3-Ureido-but-2-enoic acid ethyl ester

1-(2-phenylcyclopropyl)ethanone

ethyl 2-(2-phenylethyl)acetoacetate

Downstream raw materials:

1-hydroxy-1-methyl-1,2,3,4,6,9-hexahydronaphthalene

Styryl-γ-phenylpropylketon

1-methyl-1,2,3,4-tetrahydronaphthalene

1-Methylnaphthalene

Refernces

• 1、 Newman,M.S. et al.. "-". . p. 1851 - 1853. Retrieved 1963.
• 2、 Long, Peng-Wei,Oestreich, Martin. "B(C6F5)3-Catalyzed Diastereoselective Formal (4 + 1)-Cycloaddition of Vinylcyclopropanes and Et2SiH2". supporting information. p. 4834 - 4837. Retrieved 2021/06/28.
• 3、 Lv, Guowei,Meng, Qi,Qin, Tao,Xiong, Tao,Zhang, Ge,Zhang, Qian. "Cobalt-Catalyzed Radical Hydroamination of Alkenes with N-Fluorobenzenesulfonimides". supporting information. p. 25949 - 25957. Retrieved 2021/11/01.