4,4-Dimethyl-1-phenylpent-2-en-1-one

Base Information

• Chemical Name: 4,4-Dimethyl-1-phenylpent-2-en-1-one
• CAS No.: 20157-18-0
• Molecular Formula: C₁₃H₁₆O
• Molecular Weight: 188.269
• DSSTox Substance ID: DTXSID90707314
• Mol file: 20157-18-0.mol

Synonyms:4,4-Dimethyl-1-phenylpent-2-en-1-one;20157-18-0;DTXSID90707314

Chemical Property of 4,4-Dimethyl-1-phenylpent-2-en-1-one

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 188.120115130
• Heavy Atom Count: 14
• Complexity: 214

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4,4-Dimethyl-1-phenylpent-2-en-1-one

There total 24 articles about 4,4-Dimethyl-1-phenylpent-2-en-1-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: 100.0%

E-2-chlorovinyl phenyl ketone (15724-86-4) + tert-butylmercury chloride (38442-51-2) → (E)-4,4-dimethyl-1-phenylpent-2-en-1-one (29569-93-5,106059-50-1,20157-18-0)

Guidance literature:

With sodium iodide; In dimethyl sulfoxide; at 35 - 40 ℃; for 1h; Irradiation;

Reference yield: 96.0%

3,3-Dimethylbut-1-yne (917-92-0) + benzoyl chloride (98-88-4) → (E)-4,4-dimethyl-1-phenylpent-2-en-1-one (29569-93-5,106059-50-1,20157-18-0)

Guidance literature:

3,3-Dimethylbut-1-yne; With polymethylhydrosiloxane; trifuran-2-yl-phosphane; tributyltin fluoride; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃; for 2h;

benzoyl chloride; In tetrahydrofuran; at 65 ℃; for 6h;

DOI:10.1016/j.jorganchem.2005.11.041

Reference yield: 84.5%

pivalaldehyde (630-19-3) + acetophenone (98-86-2) → 4,4-dimethyl-1-phenylpent-1-en-3-one (29569-93-5,106059-50-1,20157-18-0)

Guidance literature:

With potassium hydroxide; In methanol; at 20 ℃; for 24h;

DOI:10.1002/chem.202103571

upstream raw materials:

pivalaldehyde

acetophenone

1-styrenyloxytrimethylsilane

(E)-4,4-dimethyl-2-pentenal

Downstream raw materials:

3,4,4-Trimethyl-1-phenyl-pentan-1-one

3-(4-Benzhydryl-phenyl)-4,4-dimethyl-1-phenyl-pentan-1-one

cis-2-Phenyl-trans-3-tert-butyl-1-benzoylcyclopropane

triphenylphosphine