ACETAMIDE, N-(2-(5-METHOXYBENZO(b)THIEN-3-YL)ETHYL)-

Base Information

• Chemical Name: ACETAMIDE, N-(2-(5-METHOXYBENZO(b)THIEN-3-YL)ETHYL)-
• CAS No.: 28462-87-5
• Molecular Formula: C₁₃H₁₅NO₂S
• Molecular Weight: 249.334
• DSSTox Substance ID: DTXSID10182664
• Wikidata: Q83053366
• Pharos Ligand ID: 6NWNRDHFCLC9
• ChEMBL ID: CHEMBL109235
• Mol file: 28462-87-5.mol

Synonyms:BRN 1379764;ACETAMIDE, N-(2-(5-METHOXYBENZO(b)THIEN-3-YL)ETHYL)-;CHEMBL109235;28462-87-5;N-(2-(5-Methoxybenzo(b)thien-3-yl)ethyl)acetamide;C13H15NO2S;SCHEMBL7024784;DTXSID10182664;BDBM50037219;LS-9818;N-[2-(5-Methoxy-benzo[b]thiophen-3-yl)-ethyl]-acetamide

Chemical Property of ACETAMIDE, N-(2-(5-METHOXYBENZO(b)THIEN-3-YL)ETHYL)-

Chemical Property:

• Vapor Pressure: 1.67E-09mmHg at 25°C
• Boiling Point: 483.5°C at 760 mmHg
• Flash Point: 246.2°C
• PSA: 70.06000
• Density: 1.194g/cm³
• LogP: 3.42880
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 249.08234989
• Heavy Atom Count: 17
• Complexity: 272

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NCCC1=CSC2=C1C=C(C=C2)OC

Technology Process of ACETAMIDE, N-(2-(5-METHOXYBENZO(b)THIEN-3-YL)ETHYL)-

There total 2 articles about ACETAMIDE, N-(2-(5-METHOXYBENZO(b)THIEN-3-YL)ETHYL)- 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: 70.0%

5-Methoxy-3-(β-aminoaethyl)-benzo[b]thiophen-Hydrochlorid (30129-65-8) + acetyl chloride (75-36-5) → 5-Methoxy-3-(β-acetaminoethyl)-benzothiophen (28462-87-5)

Guidance literature:

With potassium carbonate; In chloroform; water; for 0.5h; Ambient temperature;

DOI:10.1021/jm00046a006

Reference yield:

→ 5-Methoxy-3-(β-acetaminoethyl)-benzothiophen (28462-87-5)

Guidance literature:

Amin VIb, Acetanhydrid;

DOI:10.1021/jm00300a042

upstream raw materials:

5-Methoxy-3-(β-aminoaethyl)-benzo[b]thiophen-Hydrochlorid

acetyl chloride

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