1,3-Pentanedione, 4-methyl-1-phenyl-

Base Information

• Chemical Name: 1,3-Pentanedione, 4-methyl-1-phenyl-
• CAS No.: 13988-65-3
• Molecular Formula: C12H14O2
• Molecular Weight: 190.242
• Mol file: 13988-65-3.mol

Synonyms:1,3-Pentanedione,4-methyl-1-phenyl;4-methyl-1-phenyl-1,3-pentadione;4-ISOBUTYRYLACETOPHENONE;4-Methyl-1-phenyl-pentan-1,3-dion;4-methyl-1-phenyl-pentane-1,3-dione;11.13-Dioxo-1-(14-metho-pentyl)-benzol;4-methyl-1-phenyl-1,3-pentanedione;

Chemical Property of 1,3-Pentanedione, 4-methyl-1-phenyl-

Chemical Property:

• Boiling Point: 121-122 °C(Press: 5 Torr)
• PSA: 34.14000
• Density: 1.031±0.06 g/cm3(Predicted)
• LogP: 2.48450

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1,3-Pentanedione, 4-methyl-1-phenyl-

There total 18 articles about 1,3-Pentanedione, 4-methyl-1-phenyl- 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: 91.0%

isobutyryl chloride (79-30-1) + acetophenone (98-86-2) → 4-methyl-1-phenyl-pentane-1,3-dione (13988-65-3)

Guidance literature:

With magnesium bromide diethyl etherate; N-ethyl-N,N-diisopropylamine; In dichloromethane; for 12h; Inert atmosphere;

DOI:10.1021/acs.joc.9b00397

Reference yield: 75.0%

3-methyl-butan-2-one (563-80-4) + benzoic acid methyl ester (93-58-3,5705-52-2,80226-58-0) → 4-methyl-1-phenyl-pentane-1,3-dione (13988-65-3)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at 0 - 20 ℃; for 1h;

DOI:10.1021/jo010325d

Reference yield: 59.0%

acetophenone (98-86-2) + Ethyl isobutyrate (97-62-1) → 4-methyl-1-phenyl-pentane-1,3-dione (13988-65-3)

Guidance literature:

With sodium hydride; Ambient temperature;

upstream raw materials:

2,2-dimethyl-1-phenyl-1,3-butanedione

acetophenone

Ethyl isobutyrate

3-methyl-butan-2-one

Downstream raw materials:

Benzoyl-isobutyryl-methan (Enolform); 1-Phenyl-4-methyl-1-hydroxy-3-oxo-penten-⁽¹⁾

3-Benzoyloxy-4-methyl-1-phenyl-penten-⁽²⁾-on-⁽¹⁾

4-methyl-3-(4-nitro-benzoyloxy)-1-phenyl-pent-2-enone

(Z)-1-phenyl-3-isopropyl-1,2,3-propanetrione 2-oxime