2-(2-Oxoindoline-3-ylidene)benzo[b]thiophene-3(2H)-one

Base Information

• Chemical Name: 2-(2-Oxoindoline-3-ylidene)benzo[b]thiophene-3(2H)-one
• CAS No.: 6424-61-9
• Molecular Formula: C16H9NO2S
• Molecular Weight: 279.319
• Mol file: 6424-61-9.mol

Synonyms:2-(2-Oxoindoline-3-ylidene)benzo[b]thiophene-3(2H)-one;3-(3-Oxobenzo[b]thiophen-2(3H)-ylidene)-1H-indol-2(3H)-one;C.I.73635;Thioindigo Scarlet R

Chemical Property of 2-(2-Oxoindoline-3-ylidene)benzo[b]thiophene-3(2H)-one

Chemical Property:

• PSA: 71.47000
• LogP: 3.47640

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• General Description: Based on the provided literature, **2-(2-Oxoindoline-3-ylidene)benzo[b]thiophene-3(2H)-one (thioindirubin)** exhibits intramolecular noncovalent interactions, including a C-H···O hydrogen bond and an S···O chalcogen bond, as confirmed by X-ray diffraction and quantum-chemical analyses. The sulfur atom's σ-hole interacts with the carbonyl oxygen, forming a chalcogen bond, while the molecular electrostatic potential and topological electron density analysis support the stability conferred by these interactions. These structural features contribute to the molecule's conformational rigidity and electronic properties.

Technology Process of 2-(2-Oxoindoline-3-ylidene)benzo[b]thiophene-3(2H)-one

There total 9 articles about 2-(2-Oxoindoline-3-ylidene)benzo[b]thiophene-3(2H)-one 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: 91.0%

triethylammonium (Z)-2-oxo-1-(2-oxoindolin-3-ylidene)-2-phenylethanethiolate → thioindirubin (6424-61-9)

Guidance literature:

With iodine; In 1,4-dioxane; at 120 ℃; for 0.5h; Solvent; Temperature; Catalytic behavior; Sealed tube; Microwave irradiation;

DOI:10.1039/c7ob01515a

Reference yield:

indole-2,3-dione (91-56-5,1186480-61-4,84788-92-1) + 2-oxo-2-phenylethylthiocyanate (5399-30-4) → thioindirubin (6424-61-9)

Guidance literature:

Multi-step reaction with 2 steps

1: ethyl acetate / 20 °C

2: iodine / 1,4-dioxane / 0.5 h / 120 °C / Sealed tube; Microwave irradiation

With iodine; In 1,4-dioxane; ethyl acetate;

DOI:10.1039/c7ob01515a

Reference yield:

thioindoxyl (130-03-0) + indole-2,3-dione (91-56-5,1186480-61-4,84788-92-1) → thioindirubin (6424-61-9)

Guidance literature:

With hydrogenchloride; In acetic acid;

DOI:10.1007/s11224-010-9638-2

upstream raw materials:

2-oxoindole

benzo-[b]thiophene-2,3-dione

2-<4-(dimethylamino)phenyl>-imino benzo-thiophen-3-(2H)-one

3-hydroxybenzothiophene

Downstream raw materials:

3-formyloxindole

Thiosalicylic acid

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