CID 1351203

Base Information

• Chemical Name: CID 1351203
• CAS No.: 80030-91-7
• Molecular Formula: C17H13NO2S
• Molecular Weight: 295.362
• DSSTox Substance ID: DTXSID00361961
• Mol file: 80030-91-7.mol

Synonyms:3-benzyl-5-benzylidene-1,3-thiazolidine-2,4-dione;80030-91-7;CBMicro_035849;DTXSID00361961

Chemical Property of CID 1351203

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 295.06669983
• Heavy Atom Count: 21
• Complexity: 434

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C(=O)C(=CC3=CC=CC=C3)SC2=O

Technology Process of CID 1351203

There total 3 articles about CID 1351203 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: 28.0%

3-Benzyl-5-benzyliden-4-oxothiazolidin-2-thion-S-oxid (138696-27-2) → (E,Z)-5-Benzylidene-3-benzyl-2,4-dioxo-1,3-thiazolidine (80030-91-7) + 3-benzyl-5-benzylidene-2-thioxo-1,3-thiazolidin-4-one (23509-48-0)

Guidance literature:

In dichloromethane; at 15 ℃; for 14h; Irradiation;

Reference yield:

3-benzyl-5-benzylidene-2-thioxo-1,3-thiazolidin-4-one (23509-48-0) → (E,Z)-5-Benzylidene-3-benzyl-2,4-dioxo-1,3-thiazolidine (80030-91-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 78 percent / 85percent mCPBA / acetone / Ambient temperature

2: 61 percent / CH₂Cl₂ / 14 h / 15 °C / Irradiation

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; acetone;

Reference yield:

→ (E,Z)-5-Benzylidene-3-benzyl-2,4-dioxo-1,3-thiazolidine (80030-91-7)

Guidance literature:

/BRN= 250709/;

upstream raw materials:

3-Benzyl-5-benzyliden-4-oxothiazolidin-2-thion-S-oxid

3-benzyl-5-benzylidene-2-thioxo-1,3-thiazolidin-4-one

Refernces