2,2,4,4-Tetramethyl-1,5-diphenyl-5-thioxo-1-pentanone

Base Information

• Chemical Name: 2,2,4,4-Tetramethyl-1,5-diphenyl-5-thioxo-1-pentanone
• CAS No.: 139210-00-7
• Molecular Formula: C21H24OS
• Molecular Weight: 324.487
• DSSTox Substance ID: DTXSID001213800
• Mol file: 139210-00-7.mol

Synonyms:2,2,4,4-Tetramethyl-1,5-diphenyl-5-thioxo-1-pentanone;DTXSID001213800;139210-00-7

Chemical Property of 2,2,4,4-Tetramethyl-1,5-diphenyl-5-thioxo-1-pentanone

Chemical Property:

• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 324.15478656
• Heavy Atom Count: 23
• Complexity: 423

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2,2,4,4-Tetramethyl-1,5-diphenyl-5-thioxo-1-pentanone

There total 16 articles about 2,2,4,4-Tetramethyl-1,5-diphenyl-5-thioxo-1-pentanone 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: 100.0%

3-phenyl-3-(1,1,3,3-tetramethyl-4-oxo-4-phenylbutyl)dithiirane (155795-05-4) → 2,2,4,4-tetramethyl-1,5-diphenyl-5-thioxo-1-pentanone (139210-00-7)

Guidance literature:

With triethylamine; Ambient temperature;

Reference yield: 55.0%

2,2,4,4-tetramethyl-1,5-diphenylpentane-1,5-dione monohydrazone (139209-97-5) → 2,2,4,4-tetramethyl-1,5-diphenyl-5-thioxo-1-pentanone (139210-00-7) + 2,2,4,4-tetramethyl-1,5-diphenyl-6-oxa-7-thiabicyclo<3.1.1>heptane (139210-01-8) + 2,2,4,4-tetramethyl-1,5-diphenyl-8-oxa-6,7-dithiabicyclo<3.2.1>octane (139209-98-6)

Guidance literature:

With disulfur dichloride; triethylamine; In toluene; for 1h; Heating;

DOI:10.1246/bcsj.66.1714

Reference yield: 28.0%

2,2,4-Trimethyl-4-((1R,3R)-1-oxo-3-phenyl-1λ4-dithiiran-3-yl)-1-phenyl-pentan-1-one → 2,2,4,4-tetramethyl-1,5-diphenylpentane-1,5-dione (95581-35-4) + 2,2,4,4-tetramethyl-1,5-diphenyl-5-thioxo-1-pentanone (139210-00-7) + 2,2,4,4-tetramethyl-1,5-diphenyl-5-thioxo-1-pentanone S-oxide

Guidance literature:

With tri-n-butyl-tin hydride; In benzene-d6; at 25 ℃; for 144h; Product distribution;

DOI:10.1016/S0040-4020(97)00553-X

upstream raw materials:

2,2,4,4-tetramethyl-1,5-diphenylpentane-1,5-dione monohydrazone

2,2,4,4-tetramethyl-1,5-diphenyl-8-oxa-6,7-dithiabicyclo<3.2.1>octane

3-phenyl-3-(1,1,3,3-tetramethyl-4-oxo-4-phenylbutyl)dithiirane

2,2,4,4-tetramethyl-1,5-diphenyl-6,7-dithiabicyclo<3.1.1>heptane