2-Acetylaminodibenzothiophene

Base Information

• Chemical Name: 2-Acetylaminodibenzothiophene
• CAS No.: 54818-88-1
• Molecular Formula: C14H11NOS
• Molecular Weight: 241.32
• Hs Code.: 2934999090
• European Community (EC) Number: 659-780-1
• DSSTox Substance ID: DTXSID90970162
• Nikkaji Number: J74.858G
• Wikidata: Q82953272
• Mol file: 54818-88-1.mol

Synonyms:2-Acetylaminodibenzothiophene;2-Acetamidodibenzothiophene;54818-88-1;n-(dibenzo[b,d]thiophen-2-yl)acetamide;N-dibenzothiophen-2-ylacetamide;N-2-Dibenzothienylacetamide;Acetamide, N-2-dibenzothienyl-;BRN 0192545;4-18-00-07187 (Beilstein Handbook Reference);SCHEMBL5106815;DTXSID90970162;FBHBFAPHAYSMFP-UHFFFAOYSA-N;AKOS024338583;N-(Dibenzo[b,d]thiophen-2-yl)ethanimidic acid

Chemical Property of 2-Acetylaminodibenzothiophene

Chemical Property:

• Vapor Pressure: 2.03E-10mmHg at 25°C
• Refractive Index: 1.7500 (estimate)
• Boiling Point: 507.5°Cat760mmHg
• Flash Point: 260.7°C
• PSA: 57.34000
• Density: 1.338g/cm³
• LogP: 4.08590
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 241.05613515
• Heavy Atom Count: 17
• Complexity: 307

Purity/Quality:

99% ^*data from raw suppliers

2-ACETAMIDODIBENZOTHIOPHENE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C32

Technology Process of 2-Acetylaminodibenzothiophene

There total 6 articles about 2-Acetylaminodibenzothiophene 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:

1-dibenzothiophen-2-yl-ethanone oxime (25185-85-7) → 2-acetylamino-dibenzothiophene (54818-88-1)

Guidance literature:

With phosphorus pentachloride; benzene;

DOI:10.1021/ja01169a070 DOI:10.1021/jo01219a003

Reference yield:

dibenzothiophen-2-ylamine (7428-91-3) + acetic anhydride (108-24-7) → 2-acetylamino-dibenzothiophene (54818-88-1)

Guidance literature:

With benzene;

DOI:10.1021/jo01219a003

Reference yield:

dibenzothiophen-2-ylamine (7428-91-3) + acetyl chloride (75-36-5) → 2-acetylamino-dibenzothiophene (54818-88-1)

Guidance literature:

upstream raw materials:

dibenzothiophen-2-ylamine

acetic anhydride

1-dibenzothiophen-2-yl-ethanone oxime

2-bromodibenzothiophene

Downstream raw materials:

3-bromo-dibenzo[b,d]thiophene 5,5-dioxide

2-bromodibenzo[b,d]thiophene