Methyl 4-[2,4,6-tri(propan-2-yl)benzoyl]benzoate

Base Information

• Chemical Name: Methyl 4-[2,4,6-tri(propan-2-yl)benzoyl]benzoate
• CAS No.: 76893-83-9
• Molecular Formula: C24H30O3
• Molecular Weight: 366.5
• DSSTox Substance ID: DTXSID30556469
• Nikkaji Number: J951.319A
• Wikidata: Q82438026
• Mol file: 76893-83-9.mol

Synonyms:Methyl 4-[2,4,6-tri(propan-2-yl)benzoyl]benzoate;76893-83-9;DTXSID30556469;4'-methoxycarbonyl-2,4,6-triisopropylbenzophenone

Chemical Property of Methyl 4-[2,4,6-tri(propan-2-yl)benzoyl]benzoate

Chemical Property:

• XLogP3: 6.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 366.21949481
• Heavy Atom Count: 27
• Complexity: 482

Purity/Quality:

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)OC)C(C)C

Technology Process of Methyl 4-[2,4,6-tri(propan-2-yl)benzoyl]benzoate

There total 1 articles about Methyl 4-[2,4,6-tri(propan-2-yl)benzoyl]benzoate 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: 58.0%

1,3,5-triisopropyl benzene (717-74-8) + 4-Methoxycarbonylbenzoyl chloride (7377-26-6) → 2,4,6-Triisopropyl-4'-(methoxycarbonyl)benzophenone (76893-83-9)

Guidance literature:

With In(OSO₂CF₃)3; for 0.116667h; microwave irradiation;

DOI:10.1081/SCC-120026324

Reference yield: 54.0%

2,4,6-Triisopropyl-4'-(methoxycarbonyl)benzophenone (76893-83-9) → 4-(7-Hydroxy-3,5-diisopropyl-8,8-dimethyl-bicyclo[4.2.0]octa-1,3,5-trien-7-yl)-benzoic acid methyl ester (84559-62-6)

Guidance literature:

In solid; at 83.85 ℃; for 10h; Irradiation;

DOI:10.1107/S0108768198005515

Reference yield:

2,4,6-Triisopropyl-4'-(methoxycarbonyl)benzophenone (76893-83-9) → C6H12N4*C23H28O3

Guidance literature:

Multi-step reaction with 3 steps

1: Alkaline conditions

2: ethanol

3: neat (no solvent) / UV-irradiation

In ethanol;

DOI:10.1021/acs.cgd.0c00245

upstream raw materials:

1,3,5-triisopropyl benzene

4-Methoxycarbonylbenzoyl chloride

Downstream raw materials:

4-(7-Hydroxy-3,5-diisopropyl-8,8-dimethyl-bicyclo[4.2.0]octa-1,3,5-trien-7-yl)-benzoic acid methyl ester