1-Phenyl-2-(2,4,6-trimethylphenyl)propan-1-one

Base Information

• Chemical Name: 1-Phenyl-2-(2,4,6-trimethylphenyl)propan-1-one
• CAS No.: 84839-90-7
• Molecular Formula: C18H20O
• Molecular Weight: 252.356
• DSSTox Substance ID: DTXSID60517760
• Nikkaji Number: J1.836.250C

Synonyms:1-phenyl-2-(2,4,6-trimethylphenyl)propan-1-one;84839-90-7;SCHEMBL4809206;DTXSID60517760

Chemical Property of 1-Phenyl-2-(2,4,6-trimethylphenyl)propan-1-one

Chemical Property:

• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 252.151415257
• Heavy Atom Count: 19
• Complexity: 291

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)C(C)C(=O)C2=CC=CC=C2)C

Technology Process of 1-Phenyl-2-(2,4,6-trimethylphenyl)propan-1-one

There total 11 articles about 1-Phenyl-2-(2,4,6-trimethylphenyl)propan-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: 90.0%

2-bromomesitylene (1667-04-5) + 1-phenyl-propan-1-one (93-55-0) → 1-phenyl-2-(2',4',6'-trimethylphenyl)propan-1-one (84839-90-7)

Guidance literature:

With sodium t-butanolate; (1,1'-bis(di-tert-butylphosphino)ferrocene)PdCl₂; In tetrahydrofuran; at 60 ℃;

DOI:10.1021/ol702430a

Reference yield: 89.0%

2,4,6-trimethylphenyl bromide (576-83-0) + 1-phenyl-propan-1-one (93-55-0) → 1-phenyl-2-(2',4',6'-trimethylphenyl)propan-1-one (84839-90-7)

Guidance literature:

2,4,6-trimethylphenyl bromide; With 1-norborn-1-yl-2,2,6,6-tetramethyl-phosphorinane*HBF₄; sodium t-butanolate; tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; In toluene; for 0.25h;

1-phenyl-propan-1-one; In toluene; at 20 ℃; for 48h;

DOI:10.1021/ol052579h

Reference yield: 72.0%

2,4,6-trimethylphenyl bromide (576-83-0) + 1-phenyl-propan-1-one (93-55-0) → 1-phenyl-2-(2',4',6'-trimethylphenyl)propan-1-one (84839-90-7) + 1,3,5-trimethyl-benzene (108-67-8)

Guidance literature:

With sodium t-butanolate; (SIPr)Pd(allyl)Cl; In tetrahydrofuran; at 60 ℃; for 6h;

DOI:10.1021/ol026745m

upstream raw materials:

1-phenyl-2-(2.4.6-trimethyl-phenyl)-propen-⁽¹⁾-ol-⁽¹⁾

α-mesitylpropionitrile

1-phenyl-2-(2,4,6-trimethylphenyl)ethanone

methyl iodide

Downstream raw materials:

benzaldehyde

(Z)-1,5,7-trimethyl-2-phenyl-2-indanol

(E)-1,5,7-trimethyl-2-phenyl-2-indanol

(Z)-1-mesitoxy-1-phenylpropene

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