5-Phenoxypentan-2-one

Base Information

• Chemical Name: 5-Phenoxypentan-2-one
• CAS No.: 87841-90-5
• Molecular Formula: C11H14O2
• Molecular Weight: 178.231
• DSSTox Substance ID: DTXSID70528660
• Nikkaji Number: J3.146.627J
• Wikidata: Q82398470
• Mol file: 87841-90-5.mol

Synonyms:5-Phenoxypentan-2-one;87841-90-5;SCHEMBL4055883;DTXSID70528660

Chemical Property of 5-Phenoxypentan-2-one

Chemical Property:

• PSA: 26.30000
• LogP: 2.43460
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 148

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CCCOC1=CC=CC=C1

Technology Process of 5-Phenoxypentan-2-one

There total 15 articles about 5-Phenoxypentan-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: 87.0%

5-(3-phenoxypropyl)-1,2,3-oxadiazole 3-oxide (1451053-97-6) → 5-phenoxypentan-2-one (87841-90-5)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 2h; under 760.051 Torr;

DOI:10.3987/COM-12-S(N)127

Reference yield: 76.0%

2-Methoxypropene (116-11-0) + 2-(2-Phenoxy-ethylazo)-prop-2-yl-hydroperoxide (87841-77-8) → 5-phenoxypentan-2-one (87841-90-5)

Guidance literature:

at 50 ℃;

DOI:10.1021/jo00176a023

Reference yield:

2-phenoxyethanol tosylate (43224-81-3) + sodium ethanolate (141-52-6) + ethyl acetoacetate (141-97-9) → 4-phenyloxybutanoic acid (6303-58-8) + 5-phenoxypentan-2-one (87841-90-5) + 4-phenoxy-2-(2-phenoxy-ethyl)-butyric acid (105109-12-4)

Guidance literature:

beim Erhitzen des gebildeten 2-<2-Phenoxy-aethyl>-acetessigsaeure-aethylesters mit aethanol. Kalilauge;

upstream raw materials:

4-phenoxybutyryl chloride

dimethylcadmium

ethyl 3-oxo-2-(2-phenoxyethyl)butanoate

sodium ethyl acetylacetate enolate

Downstream raw materials:

4-oxy-1-phenoxy-pentane

2-methyl-3-(2-phenoxy-ethyl)-indole

[2,3,5-trioxo-4-(2-phenoxy-ethyl)-cyclopentyl]-glyoxylic acid ethyl ester

5-phenoxy-pentan-2-one-(2,4-dinitro-phenylhydrazone)