1-BENZOTHIEN-4-YLAMINE

Base Information

• Chemical Name: 1-BENZOTHIEN-4-YLAMINE
• CAS No.: 17402-83-4
• Molecular Formula: C8H7NS
• Molecular Weight: 149.216
• Hs Code.: 2934999090
• European Community (EC) Number: 675-053-1
• NSC Number: 170649
• UNII: TDV33TF5QA
• DSSTox Substance ID: DTXSID50305395
• Nikkaji Number: J82.620K
• Wikidata: Q82052020
• ChEMBL ID: CHEMBL5199861
• Mol file: 17402-83-4.mol

Synonyms:4-Aminobenzo[b]thiophene;4-Aminothionaphthene;NSC 170649;

Chemical Property of 1-BENZOTHIEN-4-YLAMINE

Chemical Property:

• Vapor Pressure: 0.000506mmHg at 25°C
• Melting Point: 139-140 °C
• Refractive Index: 1.744
• Boiling Point: 313.15 °C at 760 mmHg
• PKA: 3.96±0.10(Predicted)
• Flash Point: 143.188 °C
• PSA: 54.26000
• Density: 1.294 g/cm³
• LogP: 3.06470
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 149.02992040
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

99%, ^*data from raw suppliers

Benzo[b]thiophen-4-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C2C=CSC2=C1)N
• Use Description: 1-Benzothien-4-ylamine, a chemical compound with diverse applications, finds use in various fields. In the pharmaceutical and medicinal realm, it serves as a key building block in the synthesis of organic molecules, particularly in drug development. Its unique structural features make it valuable for creating compounds with biological activity. In the field of materials science, 1-benzothien-4-ylamine can be employed as a precursor for the fabrication of organic electronic devices, such as organic light-emitting diodes (OLEDs) and organic photovoltaic cells (OPVs), where its electron-donating properties play a crucial role. Additionally, it may find applications in agrochemicals and the synthesis of specialty chemicals. Overall, 1-benzothien-4-ylamine plays a vital role as a building block in various fields, contributing to the development of pharmaceuticals, advanced materials, and more.

Technology Process of 1-BENZOTHIEN-4-YLAMINE

There total 11 articles about 1-BENZOTHIEN-4-YLAMINE 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%

N-(1-benzo[b]thiophen-4-yl)-2-hydroxy-2-methylpropanamide (62100-46-3) → benzo[B]thiophen-4-ylamine (17402-83-4)

Guidance literature:

With hydrogenchloride; In water; for 2h; Heating;

DOI:10.1016/S0040-4020(03)01177-3

Reference yield: 90.0%

4-nitrobenzene[b]thiophene (10133-34-3) → benzo[B]thiophen-4-ylamine (17402-83-4)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In methanol; at 50 ℃; for 6.5h; under 2250.23 Torr; Temperature; Autoclave;

Reference yield:

benzo[b]thiophen-5-yl-acetamide (18044-91-2) → benzo[B]thiophen-4-ylamine (17402-83-4)

Guidance literature:

Multi-step reaction with 4 steps

1: nitric acid

2: aq.-ethanolic NaOH-solution

3: aqueous sulfuric acid; sodium nitrite / Behandeln der Reaktionsloesung mit wss. Hypophosphorigsaeure

4: palladium/charcoal; ethanol / Hydrogenation

With sodium hydroxide; palladium on activated charcoal; ethanol; sulfuric acid; nitric acid; sodium nitrite;

DOI:10.1021/ja01627a048

upstream raw materials:

4,5,6,7-tetrahydro-4-oxobenzo[b]thiophene oxime

4-nitrobenzene[b]thiophene

N-(1-benzo[b]thiophen-4-yl)-2-hydroxy-2-methylpropanamide

4-hydroxybenzothiophene

Downstream raw materials:

4-chlorobenzothiophene

4-bromobenzo[b]thiophene

4-hydroxybenzothiophene

N-benzo[b]thiophen-4-yl-acetamide

Refernces

• 1、 -. "Novel preparation method of brexpiprazole". Paragraph 0025-0026. . Retrieved 2016/10/08.