n-[3-(Methylsulfanyl)-9h-fluoren-2-yl]acetamide

Base Information

• Chemical Name: n-[3-(Methylsulfanyl)-9h-fluoren-2-yl]acetamide
• CAS No.: 6098-47-1
• Molecular Formula: C16H15NOS
• Molecular Weight: 269.3614
• NSC Number: 109639
• DSSTox Substance ID: DTXSID80296505
• Wikidata: Q82037138
• Mol file: 6098-47-1.mol

Synonyms:n-[3-(methylsulfanyl)-9h-fluoren-2-yl]acetamide;6098-47-1;NSC109639;DTXSID80296505;NSC-109639

Chemical Property of n-[3-(Methylsulfanyl)-9h-fluoren-2-yl]acetamide

Chemical Property:

• Vapor Pressure: 1.52E-09mmHg at 25°C
• Boiling Point: 484.6°C at 760 mmHg
• Flash Point: 246.9°C
• Density: 1.25g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 269.08743528
• Heavy Atom Count: 19
• Complexity: 346

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=C(C=C2C(=C1)CC3=CC=CC=C32)SC

Technology Process of n-[3-(Methylsulfanyl)-9h-fluoren-2-yl]acetamide

There total 14 articles about n-[3-(Methylsulfanyl)-9h-fluoren-2-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:

N-acetyl-DL-methionine (1115-47-5) + NA-AAF (6098-44-8) → 3-(methylthio)-2-acetamidofluorene (6098-47-1) + 1-(methylthio)-2-acetamidofluorene (21879-09-4)

Guidance literature:

With phosphate buffer; In ethanol; at 48 ℃; for 2.5h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1021/jm00148a014

Reference yield:

N-Hydroxy-2-acetylaminofluoren (53-95-2) → 3-(methylthio)-2-acetamidofluorene (6098-47-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / pyridine / 0.75 h / Ambient temperature

2: 0.1 M phosphate buffer (pH=7.8) / aq. ethanol / 2.5 h / 48 °C

With phosphate buffer; In pyridine; ethanol;

DOI:10.1021/jm00148a014

Reference yield:

3-Methylmercapto-fluorenon (16233-23-1) → 3-(methylthio)-2-acetamidofluorene (6098-47-1)

Guidance literature:

Multi-step reaction with 9 steps

1: NO₂/HNO₃ / acetic acid

2: NO₂/HNO₃

3: aq. HBr / acetic acid

4: aq. N₂H₄ / bis-(2-hydroxy-ethyl) ether

5: benzene

6: (i) NO₂/HNO₃, HNO₃, (ii) aq. HBr, AcOH

7: aq. NaOH / ethanol

8: (i) aq. HCl, NaNO₂, (ii) H₃PO₂

9: (i) N₂H₄, Pd-C, (ii) /BRN= 385737/

With sodium hydroxide; hydrogen bromide; nitric acid; Nitrogen dioxide; hydrazine hydrate; In ethanol; acetic acid; diethylene glycol; benzene;

DOI:10.1021/jm00317a041

upstream raw materials:

N-acetyl-DL-methionine

NA-AAF

2-Nitro-3-methylmercapto-fluoren

acetic anhydride

Refernces