Ethyl 9-oxo-9H-fluorene-1-carboxylate

Base Information

• Chemical Name: Ethyl 9-oxo-9H-fluorene-1-carboxylate
• CAS No.: 76118-81-5
• Molecular Formula: C₁₆H₁₂O₃
• Molecular Weight: 252.269
• DSSTox Substance ID: DTXSID00561989
• Wikidata: Q82445949
• Mol file: 76118-81-5.mol

Synonyms:76118-81-5;ETHYL 9-OXO-9H-FLUORENE-1-CARBOXYLATE;9-oxo-9h-fluorene-1-carboxylic acid ethyl ester;9H-Fluorene-1-carboxylic acid, 9-oxo-, ethyl ester;ETHYL 9-OXOFLUORENE-1-CARBOXYLATE;DTXSID00561989;MFCD00598321;ETHYL9-OXO-9H-FLUORENE-1-CARBOXYLATE

Chemical Property of Ethyl 9-oxo-9H-fluorene-1-carboxylate

Chemical Property:

• Melting Point: 76-76.5 °C
• Boiling Point: 430.4±24.0 °C(Predicted)
• PSA: 43.37000
• Density: 1.266±0.06 g/cm3(Predicted)
• LogP: 3.07470
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 252.078644241
• Heavy Atom Count: 19
• Complexity: 376

Purity/Quality:

9-Oxo-9H-fluorene-1-carboxylicacidethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=CC2=C1C(=O)C3=CC=CC=C23

Technology Process of Ethyl 9-oxo-9H-fluorene-1-carboxylate

There total 4 articles about Ethyl 9-oxo-9H-fluorene-1-carboxylate 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:

ethanol (64-17-5) + 9-oxo-9H-fluorene-1-carboxylic acid (1573-92-8) → 1-ethoxycarbonylfluorenone (76118-81-5)

Guidance literature:

With sulfuric acid;

Reference yield:

fluoranthene (206-44-0) → 1-ethoxycarbonylfluorenone (76118-81-5)

Guidance literature:

Multi-step reaction with 2 steps

1: CrO₃; acetic acid

2: hydrogen chloride

With chromium(VI) oxide; hydrogenchloride; acetic acid;

DOI:10.1021/ja01171a502

Reference yield:

ethanol (64-17-5) → 1-ethoxycarbonylfluorenone (76118-81-5)

Guidance literature:

upstream raw materials:

ethanol

9-oxo-9H-fluorene-1-carboxylic acid

ethyl iodide

fluoranthene

Downstream raw materials:

cinnamyl-(1-isopropoxycarbonylfluoren-9-yl)dimethylammonium bromide

isopropyl 9-cinnamyl-9-dimethylaminofluorene-1-carboxylate

isopropyl 9-dimethylamino-9-(1-phenylallyl)fluorene-1-carboxylate