4-Benzoyl-2-methyl-1lambda~6~-thiane-1,1,3-trione

Base Information

• Chemical Name: 4-Benzoyl-2-methyl-1lambda~6~-thiane-1,1,3-trione
• CAS No.: 89717-37-3
• Molecular Formula: C₁₃H₁₄O₄S
• Molecular Weight: 266.318
• DSSTox Substance ID: DTXSID80519100
• Mol file: 89717-37-3.mol

Synonyms:89717-37-3;4-Benzoyl-2-methyl-1lambda~6~-thiane-1,1,3-trione;DTXSID80519100

Chemical Property of 4-Benzoyl-2-methyl-1lambda~6~-thiane-1,1,3-trione

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 266.06128010
• Heavy Atom Count: 18
• Complexity: 440

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(=O)C(CCS1(=O)=O)C(=O)C2=CC=CC=C2

Technology Process of 4-Benzoyl-2-methyl-1lambda~6~-thiane-1,1,3-trione

There total 1 articles about 4-Benzoyl-2-methyl-1lambda~6~-thiane-1,1,3-trione 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:

benzoyl chloride (98-88-4) + 2-methyl-3-pyrrolidin-1-yl-5,6-dihydro-4H-thiopyran 1,1-dioxide (344417-07-8) → 2-methyl-5,6-dihydro-2H-thiapyran-3(4H)-one 1,1-dioxide (83925-76-2) + n-benzoylpyrrolidine (3389-54-6) + 4-benzoyl-2-methyl-5,6-dihydro-2H-thiopyran-3(4H)-one 1,1-dioxide (89717-37-3) + 4-benzoyloxy(phenyl)methylene-2-methyl-2H-thiopyran-3(4H)-one (89717-38-4)

Guidance literature:

With water; Yield given. Multistep reaction. Yields of byproduct given; 1.) benzene, reflux, 24 h;

DOI:10.1039/P19830002735

upstream raw materials:

benzoyl chloride

2-methyl-3-pyrrolidin-1-yl-5,6-dihydro-4H-thiopyran 1,1-dioxide