5-Methyl-1-phenylhexane-1,4-dione

Base Information

• Chemical Name: 5-Methyl-1-phenylhexane-1,4-dione
• CAS No.: 26823-15-4
• Molecular Formula: C13H16O2
• Molecular Weight: 204.269
• DSSTox Substance ID: DTXSID50502261
• Nikkaji Number: J618.060D
• Wikidata: Q82355143
• Mol file: 26823-15-4.mol

Synonyms:5-Methyl-1-phenylhexane-1,4-dione;26823-15-4;SCHEMBL18755534;DTXSID50502261

Chemical Property of 5-Methyl-1-phenylhexane-1,4-dione

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 204.115029749
• Heavy Atom Count: 15
• Complexity: 225

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Methyl-1-phenylhexane-1,4-dione

There total 22 articles about 5-Methyl-1-phenylhexane-1,4-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: 93.0%

2-(1-Hydroxy-cyclopropyl)-2-methyl-1-phenyl-propan-1-one (118558-92-2) → 1-phenyl-5-methyl-1,4-hexanedione (26823-15-4)

Guidance literature:

With sodium hydride; In diethyl ether; hexane; at 0 - 25 ℃; for 2h;

DOI:10.1016/S0040-4039(00)80266-X

Reference yield: 55.0%

isobutyrylacetic acid (5650-76-0) + tert-butyldimethyl(1-phenylvinyloxy)silane (66324-10-5) → 1-phenyl-5-methyl-1,4-hexanedione (26823-15-4)

Guidance literature:

With (PyCOO)3Mn; In N,N-dimethyl-formamide; Ambient temperature;

Reference yield: 45.0%

3-oxo-3-phenylpropionic acid (614-20-0) + 2-(t-butyldimethylsiloxy)-3-methyl but-1-ene (95736-15-5) → 1-phenyl-5-methyl-1,4-hexanedione (26823-15-4)

Guidance literature:

With (PyCOO)3Mn; In N,N-dimethyl-formamide; Ambient temperature;

upstream raw materials:

3-(2-phenyl-[1,3]dioxolan-2-yl)-propionitrile

isopropylmagnesium bromide

7-(4-Methoxy-phenyl)-2,2-dimethyl-3,7-dioxo-heptanoic acid ethyl ester

N-(3-Methyl-1-buten-2-yl)morpholine