53633-39-9

Basic information

• Product Name: 2-[[4-(dimethylamino)phenyl]imino]benzo[b]thiophene-3(2H)-one
• Synonyms: 2-[[4-(dimethylamino)phenyl]imino]benzo[b]thiophene-3(2H)-one;2-[[p-(Dimethylamino)phenyl]imino]-2,3-dihydrobenzo[b]thiophen-3-one;Benzo(B)thiophen-3(2H)-one, 2-((4-(dimethylamino)phenyl)imino)-;Einecs 258-678-0
• CAS NO: 53633-39-9
• Molecular Formula: C₁₆H₁₄N₂OS
• Molecular Weight: 282.36016
• EINECS: 258-678-0
• Mol File: 53633-39-9.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 482.6°Cat760mmHg
• Flash Point: 245.6°C
• Appearance: /
• Density: 1.22g/cm³
• Vapor Pressure: 1.81E-09mmHg at 25°C
• Refractive Index: 1.649
• PKA: 2.98±0.24(Predicted)
• CAS DataBase Reference: 2-[[4-(dimethylamino)phenyl]imino]benzo[b]thiophene-3(2H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[[4-(dimethylamino)phenyl]imino]benzo[b]thiophene-3(2H)-one(53633-39-9)
• EPA Substance Registry System: 2-[[4-(dimethylamino)phenyl]imino]benzo[b]thiophene-3(2H)-one(53633-39-9)

Safety Data

• Hazardous Substances Data: 53633-39-9(Hazardous Substances Data)

Usage

Class

Benzothiophenes

Core Structure

A central benzo[b]thiophene-3(2H)-one core

Substituents

A dimethylamino group and an imino group attached to a phenyl ring

Potential Pharmacological Activities

Anti-inflammatory, anti-cancer, anti-microbial, and anti-viral properties

Importance

Unique structure and potential pharmacological activities make it an interesting candidate for further research and development in the pharmaceutical industry.

InChI:InChI=1/C16H14N2OS/c1-18(2)12-9-7-11(8-10-12)17-16-15(19)13-5-3-4-6-14(13)20-16/h3-10H,1-2H3/b17-16-

Upstream product

• 7050-85-3 4-(dimethylamino)phenyl isocyanide 
• 29199-11-9 2-formylthiophenol 
• 55164-16-4 2,2'-dithiodibenzaldehyde 
• 520-72-9 3-hydroxybenzothiophene 
• 138-89-6 p-dimethylaminonitrosobenzene 
• 130-03-0 thioindoxyl 
• 871876-73-2 2,3-dimethyl-4-nitroso-aniline 

Downstream Products

• 6424-61-9 3-(3-oxo-3H-benzo[b]thiophen-2-ylidene)-1,3-dihydro-indol-2-one 
• 3844-31-3 trans-thioindigo 
• 6252-78-4 2-(2-oxo-acenaphthen-1-ylidene)-benzo[b]thiophen-3-one 

Relevant articles and documents

Efficient synthesis of benzothiophenes by [4+1] cycloaddition of 2-mercaptobenzaldehyde derivatives with isocyanides

We developed a [4+1] cycloaddition reaction of isocyanides with 2-mercaptobenzaldehydes and/or their disulfide derivatives, promoted by LiI·2H2O, to afford benzothiophene derivatives in moderate to good yields. Isocyanides, 2-mercaptobenzaldehydes and disulfide derivatives of various types were used successfully in the reaction.