N-(1-benzothiophen-3-yl)acetamide

Base Information

• Chemical Name: N-(1-benzothiophen-3-yl)acetamide
• CAS No.: 16810-40-5
• Molecular Formula: C₁₀H₉NOS
• Molecular Weight: 191.254
• DSSTox Substance ID: DTXSID20353626
• Nikkaji Number: J82.555G
• Wikidata: Q82131330
• ChEMBL ID: CHEMBL1364716
• Mol file: 16810-40-5.mol

Synonyms:16810-40-5;N-(Benzo[b]thiophen-3-yl)acetamide;N-(1-benzothiophen-3-yl)acetamide;3-(Acetylamino)benzo[b]thiophene;3-acetamidobenzo[b]thiophene;MLS000701051;CHEMBL1364716;SCHEMBL10816504;N-(1-benzothien-3-yl)acetamide;DTXSID20353626;HMS2683E21;CCG-2284;SMR000225187;A920253;SR-01000393948;SR-01000393948-1

Chemical Property of N-(1-benzothiophen-3-yl)acetamide

Chemical Property:

• PSA: 60.83000
• LogP: 3.50920
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 191.04048508
• Heavy Atom Count: 13
• Complexity: 207

Purity/Quality:

97% ^*data from raw suppliers

N-(Benzo[b]thiophen-3-yl)acetamide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CSC2=CC=CC=C21

Technology Process of N-(1-benzothiophen-3-yl)acetamide

There total 11 articles about N-(1-benzothiophen-3-yl)acetamide 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: 100.0%

3-(Diacetylamino)benzothiophene (105689-31-4) → 3-Acetoamidobenzothiophene (16810-40-5)

Guidance literature:

With hydrogenchloride; In ethanol; for 0.5h; Ambient temperature;

Reference yield: 70.0%

3-aminobenzo[b]thiophene (17402-82-3) + Acetyl bromide (506-96-7) → 3-Acetoamidobenzothiophene (16810-40-5)

Guidance literature:

With triethylamine; In dichloromethane; at 0 ℃; for 2h;

DOI:10.1002/adsc.201201010

Reference yield: 23.0%

1,2-benzisothiazol-3-one (2634-33-5) + acetic anhydride (108-24-7) → 3-Acetoamidobenzothiophene (16810-40-5) + 3-Acetamidobenzothiophene-2-carboxylic acid (105689-30-3) + 3-(Diacetylamino)benzothiophene (105689-31-4)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; at 130 ℃; for 1h;

upstream raw materials:

acetamide

3-hydroxybenzothiophene

1,2-benzisothiazol-3-one

acetic anhydride

Downstream raw materials:

3-acetamidobenzothiophene-2-carbaldehyde

trans-thioindigo

3-hydroxybenzothiophene

N-(2-Acetyl-benzo[b]thiophen-3-yl)-acetamide

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