2,2,3,3-Tetramethyl-1,4-diphenylbutane-1,4-dione

Base Information

• Chemical Name: 2,2,3,3-Tetramethyl-1,4-diphenylbutane-1,4-dione
• CAS No.: 34733-56-7
• Molecular Formula: C20H22O2
• Molecular Weight: 294.393
• DSSTox Substance ID: DTXSID30503150
• Nikkaji Number: J305.751H
• Wikidata: Q82356733
• Mol file: 34733-56-7.mol

Synonyms:2,2,3,3-Tetramethyl-1,4-diphenylbutane-1,4-dione;34733-56-7;DTXSID30503150

Chemical Property of 2,2,3,3-Tetramethyl-1,4-diphenylbutane-1,4-dione

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 294.161979940
• Heavy Atom Count: 22
• Complexity: 367

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C(=O)C1=CC=CC=C1)C(C)(C)C(=O)C2=CC=CC=C2

Technology Process of 2,2,3,3-Tetramethyl-1,4-diphenylbutane-1,4-dione

There total 14 articles about 2,2,3,3-Tetramethyl-1,4-diphenylbutane-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: 76.0%

2-bromo-2-methyl-1-phenyl-propan-1-one (10409-54-8) + benzaldehyde (100-52-7) → 2,2,3,3-tetramethyl-1,4-diphenylbutane-1,4-dione (34733-56-7) + 3-hydroxy-2,2-dimethyl-1,3-diphenylpropan-1-one (75990-52-2) + phenyl isopropyl ketone (611-70-1)

Guidance literature:

With water; zinc; for 2h; Mechanism; Product distribution; Ambient temperature; other α-halocarbonyl compounds, other aldehydes, other reagents; var. reaction time and temperature;

DOI:10.1039/c39900000505

Reference yield: 71.0%

2-(1,1-Dimethyl-2-oxo-2-phenyl-ethylazo)-2-methyl-1-phenyl-propan-1-one (74279-97-3) → 2-methyl-1-phenylprop-2-en-1-one (769-60-8) + 2,2,3,3-tetramethyl-1,4-diphenylbutane-1,4-dione (34733-56-7) + phenyl isopropyl ketone (611-70-1)

Guidance literature:

In various solvent(s); at 70 ℃; Kinetics; Thermodynamic data; Rate constant; ΔH(act.),ΔS(act.);

DOI:10.1016/S0040-4039(00)71423-7

Reference yield: 48.0%

(1R,4S)-5,5,6,6-Tetramethyl-1,4-diphenyl-2,3,7-trioxa-bicyclo[2.2.1]heptane (87894-16-4) → 2,2,3,3-tetramethyl-1,4-diphenylbutane-1,4-dione (34733-56-7)

Guidance literature:

With zinc; In acetic acid;

DOI:10.1016/S0040-4020(01)96577-9

upstream raw materials:

1,2-diphenyl-3,3,4,4-tetramethylcyclobutene

2-(1,1-Dimethyl-2-oxo-2-phenyl-ethylazo)-2-methyl-1-phenyl-propan-1-one

2-bromo-2-methyl-1-phenyl-propan-1-one

benzaldehyde

Downstream raw materials:

bis(2-methyl-1-phenyl-1-propenyl) trisulfide

bis(2-methyl-1-phenyl-1-propenyl) disulfide

2,2,3,3-tetramethyl-1,4-diphenyl-5,6,7-trithiabicyclo<2.2.1>heptane

2,2,3,3-tetramethyl-1,4-diphenyl-5,6-dithiabicyclo<2.1.1>hexane