2,3,5,6-Tetramethylbenzophenone

Base Information

• Chemical Name: 2,3,5,6-Tetramethylbenzophenone
• CAS No.: 4885-14-7
• Molecular Formula: C17H18O
• Molecular Weight: 238.329
• European Community (EC) Number: 688-755-8
• DSSTox Substance ID: DTXSID60400668
• Nikkaji Number: J372.380A
• Wikidata: Q82203677
• Mol file: 4885-14-7.mol

Synonyms:2,3,5,6-Tetramethylbenzophenone;phenyl-(2,3,5,6-tetramethyl-phenyl)-methanone;4885-14-7;AC1N5HTU;DTXSID60400668;AKOS009339999;phenyl(2,3,5,6-tetramethylphenyl)methanone

Chemical Property of 2,3,5,6-Tetramethylbenzophenone

Chemical Property:

• PSA: 17.07000
• LogP: 4.15120
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 238.135765193
• Heavy Atom Count: 18
• Complexity: 276

Purity/Quality:

95% ^*data from raw suppliers

PHENYL-(2,3,5,6-TETRAMETHYL-PHENYL)-METHANONE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1C)C(=O)C2=CC=CC=C2)C)C

Technology Process of 2,3,5,6-Tetramethylbenzophenone

There total 19 articles about 2,3,5,6-Tetramethylbenzophenone 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: 99.0%

carbon monoxide (201230-82-2) + 1,2,4,5-tetramethylbenzene (95-93-2) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 3-benzoyldurene (4885-14-7)

Guidance literature:

benzene; With bis(η3-allyl-μ-chloropalladium(II)); iodine; silver trifluoromethanesulfonate; In 1,2-dichloro-ethane; at 20 ℃;

carbon monoxide; 1,2,4,5-tetramethylbenzene; In 1,2-dichloro-ethane; at 60 ℃; for 22h; under 3040.2 Torr;

DOI:10.1039/d0sc00085j

Reference yield: 99.0%

1,2,4,5-tetramethylbenzene (95-93-2) + benzoic acid (65-85-0,8013-63-6) → 3-benzoyldurene (4885-14-7)

Guidance literature:

With pyridin-2-yl trifluoromethanesulfonate; trifluoroacetic acid; for 5h; Heating;

DOI:10.1246/bcsj.61.455

Reference yield: 95.0%

1,2,4,5-tetramethylbenzene (95-93-2) + benzoyl triflate (36967-85-8) → 3-benzoyldurene (4885-14-7)

Guidance literature:

at 40 ℃; for 16h; Glovebox;

DOI:10.1002/anie.201814660

upstream raw materials:

diethyl ether

2,3,5,6-Tetramethylbenzoyl chloride

diphenyl cadmium

1,2,4,5-tetramethylbenzene

Downstream raw materials:

4'-isopropyl-2,3,5,6-tetramethyl-benzophenone

2'-[2-(α-hydroxy-2,4,6-trimethyl-benzyl)-phenyl]-2,3,5,6-tetramethyl-benzophenone

2'-[2-(α-hydroxy-2,3,5,6-tetramethyl-benzyl)-phenyl]-2,3,5,6-tetramethyl-benzophenone

1,4-bis(2,3,5,6-tetramethylbenzoyl)benzene

Refernces

• 1、 Kinney, R. Garrison,Arndtsen, Bruce A.. "Decarboxylation with Carbon Monoxide: The Direct Conversion of Carboxylic Acids into Potent Acid Triflate Electrophiles". . p. 5085 - 5089. Retrieved 2019/04/01.
• 2、 Davlieva,Lindeman,Neretin,Kochi. "Isolation, X-ray structures, and electronic spectra of reactive intermediates in Friedel-Crafts acylations". . p. 4013 - 4021. Retrieved 2007/10/03.