Ethyl 3-amino-9,9a-dihydro-9a-methyl-9-oxo-1-phenyl-1H-fluorene-2-carboxylate

Base Information

• Chemical Name: Ethyl 3-amino-9,9a-dihydro-9a-methyl-9-oxo-1-phenyl-1H-fluorene-2-carboxylate
• CAS No.: 106237-18-7
• Molecular Formula: C₂₃H₂₁NO₃
• Molecular Weight: 359.425
• DSSTox Substance ID: DTXSID201139040

Synonyms:DTXSID201139040;Ethyl 3-amino-9,9a-dihydro-9a-methyl-9-oxo-1-phenyl-1H-fluorene-2-carboxylate;106237-18-7;ethyl 3-amino-9a-methyl-9-oxo-1-phenyl-9,9a-dihydro-1h-fluorene-2-carboxylate

Chemical Property of Ethyl 3-amino-9,9a-dihydro-9a-methyl-9-oxo-1-phenyl-1H-fluorene-2-carboxylate

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 359.15214353
• Heavy Atom Count: 27
• Complexity: 700

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C=C2C3=CC=CC=C3C(=O)C2(C1C4=CC=CC=C4)C)N

Technology Process of Ethyl 3-amino-9,9a-dihydro-9a-methyl-9-oxo-1-phenyl-1H-fluorene-2-carboxylate

There total 3 articles about Ethyl 3-amino-9,9a-dihydro-9a-methyl-9-oxo-1-phenyl-1H-fluorene-2-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: 84.0%

ethyl α-acetyl-β-(2-methylindan-1,3-dione-2-yl)-β-phenylpropionate (94940-89-3) → 2,4a-dimethyl-4-phenyl-3-ethoxycarbonyl-5-oxo-4a,5-dihydro-4H-indeno<1,2-b>pyridine (90787-08-9) + 1-phenyl-2-ethoxycarbonyl-3-amino-9a-methyl-1,9a-dihydrofluorene-9-one (106237-18-7)

Guidance literature:

With ammonium acetate; In acetic acid; Product distribution; Heating; investigation of the influence of solvent polarity;

DOI:10.1016/S0040-4020(01)87375-0

Reference yield: 30.0%

ethyl α-acetyl-β-(2-methylindan-1,3-dione-2-yl)-β-phenylpropionate (94940-89-3) → 1-phenyl-2-ethoxycarbonyl-3-amino-9a-methyl-1,9a-dihydrofluorene-9-one (106237-18-7)

Guidance literature:

With ammonium acetate; In water; acetic acid; Heating;

DOI:10.1016/S0040-4020(01)87375-0

Reference yield: 12.0%

2,4a-dimethyl-4-phenyl-3-ethoxycarbonyl-5-oxo-4a,5-dihydro-4H-indeno<1,2-b>pyridine (90787-08-9) → ethyl α-acetyl-β-(2-methylindan-1,3-dione-2-yl)-β-phenylpropionate (94940-89-3) + 1-phenyl-2-ethoxycarbonyl-3-hydroxy-9a-methyl-1,9a-dihydrofluorene-9-one (106237-19-8) + 1-phenyl-2-ethoxycarbonyl-3-amino-9a-methyl-1,9a-dihydrofluorene-9-one (106237-18-7)

Guidance literature:

With hydrogenchloride; In ethanol; for 5h; Heating;

DOI:10.1016/S0040-4020(01)87375-0

upstream raw materials:

ethyl α-acetyl-β-(2-methylindan-1,3-dione-2-yl)-β-phenylpropionate

2,4a-dimethyl-4-phenyl-3-ethoxycarbonyl-5-oxo-4a,5-dihydro-4H-indeno<1,2-b>pyridine

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