40615-04-1

Basic information

• Product Name: 3-Aminomethylbenzo[b]thiophene
• Synonyms: 1-BENZOTHIOPHENE-3-YLMETHYLAMINE;BENZOTHIOPHENE-3-METHYLAMINE;BENZO[B]THIOPHEN-3-YLMETHYLAMINE;3-Aminomethyl benzo[b]thiophene;Benzothiophen-3-ylmethylamine;1-(1-benzothien-3-yl)methanamine;benzo[b]thiophen-3-ylmethanamine;Benzo[b]thiophene-3-methanamine
• CAS NO: 40615-04-1
• Molecular Formula: C₉H₉NS
• Molecular Weight: 163.24
• Product Categories: Heterocycles;Heterocyclic Compound
• Mol File: 40615-04-1.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 303.9°Cat760mmHg
• Flash Point: 137.6°C
• Appearance: /
• Density: 1.227g/cm³
• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.692
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 9.57±0.29(Predicted)
• CAS DataBase Reference: 3-Aminomethylbenzo[b]thiophene(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Aminomethylbenzo[b]thiophene(40615-04-1)
• EPA Substance Registry System: 3-Aminomethylbenzo[b]thiophene(40615-04-1)

Safety Data

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45
• Hazardous Substances Data: 40615-04-1(Hazardous Substances Data)

Usage

General Description

3-Aminomethylbenzo[b]thiophene is a chemical compound with the molecular formula C9H9NS. It is a heterocyclic aromatic compound containing a benzene ring fused to a thiophene ring and a primary amine group. 3-Aminomethylbenzo[b]thiophene is used in the synthesis of various pharmaceuticals, agrochemicals, and dyes. It also possesses a wide range of applications in material science and organic synthesis. 3-Aminomethylbenzo[b]thiophene is a versatile building block for the construction of complex organic molecules and is an important intermediate in the production of various fine chemicals.

InChI:InChI=1/C9H9NS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6H,5,10H2

Upstream product

• 5381-25-9 benzo[b]thiophene-3-carboxylic acid 
• 39827-12-8 benzothiophene-3-carbonyl chloride 
• 858117-17-6 3-benzothiophenecarboxamide 
• 100246-03-5 benzo[b]thiophene-3-carbaldehyde oxime 

Downstream Products

• 1018480-43-7 C₂₁H₁₆F₃N₃O₂S₂ 
• 1018480-42-6 C₂₀H₁₅F₃N₄O₂S₂ 
• 98977-75-4 (E)-N-methyl-N-(3-phenyl-2-propenyl)-3-benzothiophenemethanamine 
• 1071206-16-0 Benzo[b]thiophen-3-ylmethyl-((E)-3-phenyl-allyl)-amine 

Relevant articles and documents

Design and synthesis of heteroaromatic-based benzenesulfonamide derivatives as potent inhibitors of H5N1 influenza A virus

Influenza A virus is an enveloped negative single-stranded RNA virus that causes febrile respiratory infection and represents a clinically challenging threat to human health and even lives worldwide. Even more alarming is the emergence of highly pathogenic avian influenza (HPAI) strains such as H5N1, which possess much higher mortality rate (60%) than seasonal influenza strains in human infection. In this study, a novel series of heteroaromatic-based benzenesulfonamide derivatives were identified as M2 proton channel inhibitors. A systematic investigation of the structure-activity relationships and a molecular docking study demonstrated that the sulfonamide moiety and 2,5-dimethyl-substituted thiophene as the core structure played significant roles in the anti-influenza activity. Among the derivatives, compound 11k exhibited excellent antiviral activity against H5N1 virus with an EC50 value of 0.47 μM and selectivity index of 119.9, which are comparable to those of the reference drug amantadine.

Design, synthesis, and evaluation of potential inhibitors of brassinin glucosyltransferase, a phytoalexin detoxifying enzyme from Sclerotinia sclerotiorum

Sclerotinia sclerotiorum is a fungal pathogen, which causes stem rot in crucifer crops and in several other plant families resulting in enormous yield losses all over the world. Brassinin is a phytoalexin produced by crucifer plants as part of a general d