3-Acetylaminodibenzothiophene-5-oxide

Base Information

• Chemical Name: 3-Acetylaminodibenzothiophene-5-oxide
• CAS No.: 63020-21-3
• Molecular Formula: C14H11NO2S
• Molecular Weight: 257.32
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70978924
• Nikkaji Number: J74.860I
• Mol file: 63020-21-3.mol

Synonyms:63020-21-3;3-Acetylaminodibenzothiophene-5-oxide;3-Acetamidodibenzthiophene oxide;N-3-Dibenzothienylacetamide 5-oxide;BRN 0016835;Acetamide, N-3-dibenzothienyl-, 5-oxide;DTXSID70978924;3-Acetylaminodibenzothiophene 5-oxide;LS-8804;Acetamide, N-3-dibenzothienyl-, S-oxide;N-(5-Oxo-5H-5lambda~4~-dibenzo[b,d]thiophen-3-yl)ethanimidic acid

Chemical Property of 3-Acetylaminodibenzothiophene-5-oxide

Chemical Property:

• Vapor Pressure: 0.000187mmHg at 25°C
• Refractive Index: 1.7500 (estimate)
• Boiling Point: 293.1°C at 760 mmHg
• PKA: 14.18±0.20(Predicted)
• Flash Point: 131°C
• PSA: 37.30000
• Density: 1.278g/cm³
• LogP: 3.38600
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 257.05104977
• Heavy Atom Count: 18
• Complexity: 371

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3S2=O

Technology Process of 3-Acetylaminodibenzothiophene-5-oxide

There total 3 articles about 3-Acetylaminodibenzothiophene-5-oxide 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:

Dibenzothiophene sulfoxide (1013-23-6) → N-(5-oxo-5λ4-dibenzothiophen-3-yl)-acetamide (63020-21-3)

Guidance literature:

Multi-step reaction with 3 steps

1: acetic acid; sulfuric acid; nitric acid

2: acetic acid; tin (II)-chloride; aqueous hydrochloric acid / 40 °C

3: benzene

With hydrogenchloride; sulfuric acid; nitric acid; acetic acid; tin(ll) chloride; benzene;

DOI:10.1021/ja01185a021

Reference yield:

3-nitrodibenzothiophenesulfoxide (68925-98-4) → N-(5-oxo-5λ4-dibenzothiophen-3-yl)-acetamide (63020-21-3)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid; tin (II)-chloride; aqueous hydrochloric acid / 40 °C

2: benzene

With hydrogenchloride; acetic acid; tin(ll) chloride; benzene;

DOI:10.1021/ja01185a021

Reference yield:

acetic anhydride (108-24-7) + 5-oxo-5λ4-dibenzothiophen-3-ylamine (93618-97-4) → N-(5-oxo-5λ4-dibenzothiophen-3-yl)-acetamide (63020-21-3)

Guidance literature:

With benzene;

DOI:10.1021/ja01185a021

upstream raw materials:

acetic anhydride

5-oxo-5λ⁴-dibenzothiophen-3-ylamine

Dibenzothiophene sulfoxide

3-nitrodibenzothiophenesulfoxide

Downstream raw materials:

N-(5,5-dioxidodibenzo[b,d]thiophen-3-yl)acetamide