3-(1-Phenylethyl)pentane-2,4-dione

Base Information

• Chemical Name: 3-(1-Phenylethyl)pentane-2,4-dione
• CAS No.: 5186-08-3
• Molecular Formula: C13H16O2
• Molecular Weight: 204.269
• Hs Code.: 2914399090
• DSSTox Substance ID: DTXSID10446430
• Nikkaji Number: J1.055.658I
• Mol file: 5186-08-3.mol

Synonyms:3-(1-phenyl-ethyl)-pentane-2,4-dione;5186-08-3;3-(1-phenylethyl)pentane-2,4-dione;SCHEMBL6689864;DTXSID10446430;3-(1-phenylethyl)-2,4-pentanedione;AKOS015967636

Chemical Property of 3-(1-Phenylethyl)pentane-2,4-dione

Chemical Property:

• PSA: 34.14000
• LogP: 2.58430
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 204.115029749
• Heavy Atom Count: 15
• Complexity: 225

Purity/Quality:

98%Min ^*data from raw suppliers

3-(1-PHENYL-ETHYL)-PENTANE-2,4-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(1-Phenylethyl)pentane-2,4-dione

There total 29 articles about 3-(1-Phenylethyl)pentane-2,4-dione 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%

N-(1-phenylethyl)-p-toluenesulfonamide (4809-56-7) + acetylacetone (123-54-6,81235-32-7) → 3-(1-phenyl-ethyl)-pentane-2,4-dione (5186-08-3)

Guidance literature:

With ytterbium(III) triflate; In nitromethane; at 100 ℃; for 18h;

DOI:10.1016/j.tetlet.2012.01.141

Reference yield: 99.0%

1-Phenylethanol (98-85-1,13323-81-4) + acetylacetone (123-54-6,81235-32-7) → 3-(1-phenyl-ethyl)-pentane-2,4-dione (5186-08-3)

Guidance literature:

With iodine; In nitromethane; at 80 ℃; for 1h; Solvent; Time; Reactivity;

DOI:10.1055/s-2008-1078216

Reference yield: 98.0%

(1-bromoethyl)benzne (585-71-7,38661-81-3) + acetylacetone (123-54-6,81235-32-7) → 3-(1-phenyl-ethyl)-pentane-2,4-dione (5186-08-3)

Guidance literature:

With P(MeNCH₂CH₂)3N; In hexane; acetonitrile; at 25 ℃; for 0.5h;

DOI:10.1021/jo972350i

upstream raw materials:

(1-bromoethyl)benzne

acetylacetone

C₁₃H₁₅ClHgO₂

bis(acetylacetonato)cobalt(II)

Downstream raw materials:

3-(1-phenylethyl)-4-(trimethylsilyloxy)pent-3-en-2-one

2-acetoxyphenol

1-methyl-3-phenyl-butanal

4-(α-Methylbenzyl)-1,2-dihydroxybenzene