N-(4-Hydroxy-9H-fluoren-2-YL)acetamide

Base Information

• Chemical Name: N-(4-Hydroxy-9H-fluoren-2-YL)acetamide
• CAS No.: 64724-49-8
• Molecular Formula: C₁₅H₁₃NO₂
• Molecular Weight: 239.274
• DSSTox Substance ID: DTXSID30569670
• Wikidata: Q82456871
• Mol file: 64724-49-8.mol

Synonyms:N-(4-HYDROXY-9H-FLUOREN-2-YL)ACETAMIDE;64724-49-8;N-(4-Hydroxy-9H-fluoren-2-yl)-acetamide;DTXSID30569670

Chemical Property of N-(4-Hydroxy-9H-fluoren-2-YL)acetamide

Chemical Property:

• Melting Point: 270-272.5 °C (decomp)(Solv: methanol (67-56-1); water (7732-18-5))
• Boiling Point: 535.0±50.0 °C(Predicted)
• PSA: 52.82000
• Density: 1.330±0.06 g/cm3(Predicted)
• LogP: 3.57130
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 239.094628657
• Heavy Atom Count: 18
• Complexity: 331

Purity/Quality:

N-(4-Hydroxy-9H-fluoren-2-yl)-acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC2=C(C3=CC=CC=C3C2)C(=C1)O
• Uses: N-(4-Hydroxy-9H-fluoren-2-yl)-acetamide is a liver produced metabolite of the carcinogens 2-acetamidofluorene (A158535), which can be activated by liver homogenate and formed potent frameshift mutagens.

Technology Process of N-(4-Hydroxy-9H-fluoren-2-YL)acetamide

There total 3 articles about N-(4-Hydroxy-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-(Sulfonatooxy)-2-(acetylamino)fluorene (138235-69-5) → 4-Hydroxy-2-(acetylamino)fluorene (64724-49-8) + N-(3-chloro-fluoren-2-yl)-acetamide (92433-40-4) + C15H12NO5P(2-)

Guidance literature:

In water; acetonitrile; at 20 ℃; Rate constant; Mechanism; hydrolysis , pH= 1.0 - 9.5, other temperatures, other solvents, other buffers;

DOI:10.1021/ja00194a072

Reference yield:

N-(Sulfonatooxy)-2-(acetylamino)fluorene (138235-69-5) → 4-Hydroxy-2-(acetylamino)fluorene (64724-49-8) + C15H12NO5S(1-) + C15H12NO5S(1-) + 1-azido-N-acetyl-2-aminofluorene + 3-azido-N-acetyl-2-aminofluorene (1026841-39-3)

Guidance literature:

With sodium azide; tris-(2-chloro-ethyl)-amine; In water; acetonitrile; at 20 ℃; Product distribution; Rate constant;

DOI:10.1021/jo00130a034

Reference yield:

→ 4-Hydroxy-2-(acetylamino)fluorene (64724-49-8)

Guidance literature:

N-<4-Acetoxy-fluorenyl-(2)>-acetamid, Na2CO3, wss. A., 1h Kochen; Ausb. 83 percent;

DOI:10.1021/jo01077a010

upstream raw materials:

N-(Sulfonatooxy)-2-(acetylamino)fluorene