(5Z)-5-(5-Chloro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)-4-oxo-2-thioxo-3-thiazolidinepropanoic acid

Base Information

• Chemical Name: (5Z)-5-(5-Chloro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)-4-oxo-2-thioxo-3-thiazolidinepropanoic acid
• CAS No.: 1426138-42-2
• Molecular Formula: C₁₄H₉ClN₂O₄S₂
• Molecular Weight: 368.821
• Nikkaji Number: J3.157.242H
• ChEMBL ID: CHEMBL4061302
• Mol file: 1426138-42-2.mol

Synonyms:1426138-42-2;FX1;FX 1;(5Z)-5-(5-Chloro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)-4-oxo-2-thioxo-3-thiazolidinepropanoic acid;(Z)-3-(5-(5-chloro-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid;3-[5-(5-Chloro-2-oxoindol-3-yl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]propanoic acid;CHEMBL4061302;SCHEMBL16321941;SCHEMBL16323186;CHEBI:133537;BCP20471;BHC13842;EX-A2025;s8591;CCG-268276;CS-7688;AC-35585;BS-15565;HY-102027;C72671;(Z)-3-(5-(5-Chloro-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoicacid;5-[(3Z)-2-Oxo-5-chloroindoline-3-ylidene]-2-thioxo-4-oxothiazolidine-3-propionic acid;(5Z)-5-(5-Chloro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)-4-oxo-2-thioxo-3-thiazolidinepropanoicacid;3-[(5Z)-5-(5-chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

Chemical Property of (5Z)-5-(5-Chloro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)-4-oxo-2-thioxo-3-thiazolidinepropanoic acid

Chemical Property:

• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 367.9692268
• Heavy Atom Count: 23
• Complexity: 808

Purity/Quality:

98%,99%, ^*data from raw suppliers

(5Z)-5-(5-Chloro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)-4-oxo-2-thioxo-3-thiazolidinepropanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=NC(=O)C(=C2C=C1Cl)C3=C(N(C(=S)S3)CCC(=O)O)O
• Uses: (5Z)-5-(5-Chloro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)-4-oxo-2-thioxo-3-thiazolidinepropanoic Acid is used in the preparation of substituted isatinylidenerhodanines. BCL6 inhibitor, an anticancer agent.

Technology Process of (5Z)-5-(5-Chloro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)-4-oxo-2-thioxo-3-thiazolidinepropanoic acid

There total 2 articles about (5Z)-5-(5-Chloro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)-4-oxo-2-thioxo-3-thiazolidinepropanoic acid 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: 89.0%

3-(4-oxo-2-thioxothiazolidin-3-yl)propanoic acid (7025-19-6) + 5-chloroindole 2,3-dione (17630-76-1) → (Z)-3-(5-(5-chloro-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid (1426138-42-2)

Guidance literature:

With sodium acetate; acetic acid; at 105 ℃;

Reference yield: 67.0%

3-(4-oxo-2-thioxothiazolidin-3-yl)propanoic acid (7025-19-6) + indole-2,3-dione (91-56-5,1186480-61-4,84788-92-1) → (Z)-3-(5-(5-chloro-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid (1426138-42-2) + C14H11ClN2O5S2 (1430195-08-6)

Guidance literature:

In dimethylsulfoxide-d6; at 20 ℃; for 24h;

DOI:10.1016/j.tetlet.2013.01.069

upstream raw materials:

3-(4-oxo-2-thioxothiazolidin-3-yl)propanoic acid

indole-2,3-dione

5-chloroindole 2,3-dione