Benzene-1,4-diylbis{[2,4,6-tri(propan-2-yl)phenyl]methanone}

Base Information

• Chemical Name: Benzene-1,4-diylbis{[2,4,6-tri(propan-2-yl)phenyl]methanone}
• CAS No.: 76893-85-1
• Molecular Formula: C38H50O2
• Molecular Weight: 538.8024
• NSC Number: 100277
• DSSTox Substance ID: DTXSID90295206
• Wikidata: Q82034994

Synonyms:76893-85-1;benzene-1,4-diylbis{[2,4,6-tri(propan-2-yl)phenyl]methanone};NSC100277;DTXSID90295206;NSC-100277

Chemical Property of Benzene-1,4-diylbis{[2,4,6-tri(propan-2-yl)phenyl]methanone}

Chemical Property:

• Vapor Pressure: 9.56E-16mmHg at 25°C
• Boiling Point: 629.3°Cat760mmHg
• Flash Point: 227.1°C
• Density: 0.986g/cm³
• XLogP3: 11.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 538.381080833
• Heavy Atom Count: 40
• Complexity: 707

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)C(=O)C2=CC=C(C=C2)C(=O)C3=C(C=C(C=C3C(C)C)C(C)C)C(C)C)C(C)C

Technology Process of Benzene-1,4-diylbis{[2,4,6-tri(propan-2-yl)phenyl]methanone}

There total 5 articles about Benzene-1,4-diylbis{[2,4,6-tri(propan-2-yl)phenyl]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: 50.0%

1,3,5-triisopropyl benzene (717-74-8) + terephthaloyl chloride (100-20-9) → 1,4-bis-(2,4,6-triisopropyl-benzoyl)-benzene (76893-85-1)

Guidance literature:

With aluminium trichloride; In carbon disulfide;

DOI:10.1021/ja00343a008

Reference yield:

2,4,6-triisopropyl-benzoic acid p-tolyl ester (795280-14-7) + phenylmagnesium bromide → 1,4-bis-(2,4,6-triisopropyl-benzoyl)-benzene (76893-85-1)

Guidance literature:

With dibutyl ether; at 100 ℃;

DOI:10.1021/ja01263a013

Reference yield:

[4-(7-Hydroxy-3,5-diisopropyl-8,8-dimethyl-bicyclo[4.2.0]octa-1,3,5-trien-7-yl)-phenyl]-(2,4,6-triisopropyl-phenyl)-methanone (84369-73-3) → 1,4-bis-(2,4,6-triisopropyl-benzoyl)-benzene (76893-85-1)

Guidance literature:

In benzene; at 25 ℃; Mechanism; Quantum yield; Irradiation;

DOI:10.1021/ja00343a008

upstream raw materials:

dibutyl ether

2,4,6-triisopropyl-benzoic acid p-tolyl ester

1,3,5-triisopropyl benzene

terephthaloyl chloride

Downstream raw materials:

[4-(7-Hydroxy-3,5-diisopropyl-8,8-dimethyl-bicyclo[4.2.0]octa-1,3,5-trien-7-yl)-phenyl]-(2,4,6-triisopropyl-phenyl)-methanone

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