(Benzene-1,3,5-triyl)tris[(4-tert-butylphenyl)methanone]

Base Information

• Chemical Name: (Benzene-1,3,5-triyl)tris[(4-tert-butylphenyl)methanone]
• CAS No.: 159424-07-4
• Molecular Formula: C39H42O3
• Molecular Weight: 558.761
• DSSTox Substance ID: DTXSID80706634
• Wikidata: Q82640110
• Mol file: 159424-07-4.mol

Synonyms:159424-07-4;SCHEMBL12451655;(Benzene-1,3,5-triyl)tris[(4-tert-butylphenyl)methanone];DTXSID80706634

Chemical Property of (Benzene-1,3,5-triyl)tris[(4-tert-butylphenyl)methanone]

Chemical Property:

• XLogP3: 11
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 558.31339520
• Heavy Atom Count: 42
• Complexity: 796

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CC(=CC(=C2)C(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)C4=CC=C(C=C4)C(C)(C)C

Technology Process of (Benzene-1,3,5-triyl)tris[(4-tert-butylphenyl)methanone]

There total 3 articles about (Benzene-1,3,5-triyl)tris[(4-tert-butylphenyl)methanone] 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: 63.0%

tert-butylbenzene (253185-03-4,253185-04-5) + 1,3,5-benzene tris(carbonyl chloride) (4422-95-1) → [3,5-Bis-(4-tert-butyl-benzoyl)-phenyl]-(4-tert-butyl-phenyl)-methanone (159424-07-4)

Guidance literature:

With aluminium trichloride; In dichloromethane; for 18h; Ambient temperature;

DOI:10.1021/ja964185e

Reference yield: 12.0%

1-(2-propynoyl)-3-(3-trimethylsilyl-2-propynoyl)benzene (159424-10-9) + 1-(4-(tert-butyl)phenyl)prop-2-yn-1-one → [3,5-Bis-(4-tert-butyl-benzoyl)-phenyl]-(4-tert-butyl-phenyl)-methanone (159424-07-4) + 1-{3-[3-(4-tert-Butyl-benzoyl)-5-(3-tert-butyl-benzoyl)-benzoyl]-phenyl}-3-trimethylsilanyl-propynone + 1-(3-{3-(4-tert-Butyl-benzoyl)-5-[3-(3-trimethylsilanyl-propynoyl)-benzoyl]-benzoyl}-phenyl)-3-trimethylsilanyl-propynone + 1-(3-{3,5-Bis-[3-(3-trimethylsilanyl-propynoyl)-benzoyl]-benzoyl}-phenyl)-3-trimethylsilanyl-propynone

Guidance literature:

With diethylamine; N,N-dimethyl-formamide; In toluene; for 12h; Heating;

DOI:10.1246/cl.1994.1765

Reference yield:

(E)-3-(diethylamino)-1-phenylprop-2-en-1-one (23674-58-0) + 1-(4-(tert-butyl)phenyl)prop-2-yn-1-one → (E)-1-(4-(tert-butyl)phenyl)-3-(diethylamino)prop-2-en-1-one + bis(tert-butylbenzoyl)benzoylbenzene + [3,5-Bis-(4-tert-butyl-benzoyl)-phenyl]-(4-tert-butyl-phenyl)-methanone (159424-07-4)

Guidance literature:

In toluene; for 12h; Mechanism; Heating; other benzoylacetylenes;

DOI:10.1246/cl.1994.1765

upstream raw materials:

(E)-3-(diethylamino)-1-phenylprop-2-en-1-one

1-(2-propynoyl)-3-(3-trimethylsilyl-2-propynoyl)benzene

tert-butylbenzene

1,3,5-benzene tris(carbonyl chloride)

Downstream raw materials:

{3,5-Bis-[(4-tert-butyl-phenyl)-hydroxy-methyl]-phenyl}-(4-tert-butyl-phenyl)-methanol

1,3,5-tris[bromo(4-tert-butylphenyl)methyl]benzene