5-(4-Chlorophenyl)-2,3-dihydro-1lambda~6~-benzothiocine-1,1,4,6(5H)-tetrone

Base Information

• Chemical Name: 5-(4-Chlorophenyl)-2,3-dihydro-1lambda~6~-benzothiocine-1,1,4,6(5H)-tetrone
• CAS No.: 91126-22-6
• Molecular Formula: C₁₇H₁₃ClO₄S
• Molecular Weight: 348.807
• DSSTox Substance ID: DTXSID10537074
• Mol file: 91126-22-6.mol

Synonyms:91126-22-6;DTXSID10537074;5-(4-Chlorophenyl)-2,3-dihydro-1lambda~6~-benzothiocine-1,1,4,6(5H)-tetrone

Chemical Property of 5-(4-Chlorophenyl)-2,3-dihydro-1lambda~6~-benzothiocine-1,1,4,6(5H)-tetrone

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 348.0223078
• Heavy Atom Count: 23
• Complexity: 572

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CS(=O)(=O)C2=CC=CC=C2C(=O)C(C1=O)C3=CC=C(C=C3)Cl

Technology Process of 5-(4-Chlorophenyl)-2,3-dihydro-1lambda~6~-benzothiocine-1,1,4,6(5H)-tetrone

There total 1 articles about 5-(4-Chlorophenyl)-2,3-dihydro-1lambda~6~-benzothiocine-1,1,4,6(5H)-tetrone 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:

5-oxo-2,3,4,5-tetrahydro-1-benzothiepin 1,1-dioxide (22710-97-0) + 4-chlorobenzaldehyde (104-88-1) → 5-(4-Chlorphenyl)-4,6-dioxo-3,4,5,6-tetrahydro-2H-1-benzothiocin-1,1-dioxid (91126-22-6)

Guidance literature:

Yield given. Multistep reaction;

DOI:10.1002/ardp.19843170502

upstream raw materials:

5-oxo-2,3,4,5-tetrahydro-1-benzothiepin 1,1-dioxide

4-chlorobenzaldehyde