Ethyl 11b-hydroxy-2-oxo-2,11b-dihydro-1h-cyclopenta[l]phenanthrene-3-carboxylate

Base Information

• Chemical Name: Ethyl 11b-hydroxy-2-oxo-2,11b-dihydro-1h-cyclopenta[l]phenanthrene-3-carboxylate
• CAS No.: 72471-15-9
• Molecular Formula: C₂₀H₁₆O₄
• Molecular Weight: 320.345
• NSC Number: 119619
• DSSTox Substance ID: DTXSID80297956
• Nikkaji Number: J3.129.826A
• Mol file: 72471-15-9.mol

Synonyms:72471-15-9;ethyl 11b-hydroxy-2-oxo-2,11b-dihydro-1h-cyclopenta[l]phenanthrene-3-carboxylate;NSC119619;SCHEMBL7633597;DTXSID80297956;AKOS030599512;NSC-119619;Z56759936;ethyl 11b-hydroxy-2,11b-dihydro-2-oxo-1h-cyclopenta[l]phenanthrene-3-carboxylate

Chemical Property of Ethyl 11b-hydroxy-2-oxo-2,11b-dihydro-1h-cyclopenta[l]phenanthrene-3-carboxylate

Chemical Property:

• Vapor Pressure: 8.01E-10mmHg at 25°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 320.10485899
• Heavy Atom Count: 24
• Complexity: 592

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=C2C3=CC=CC=C3C4=CC=CC=C4C2(CC1=O)O

Technology Process of Ethyl 11b-hydroxy-2-oxo-2,11b-dihydro-1h-cyclopenta[l]phenanthrene-3-carboxylate

There total 3 articles about Ethyl 11b-hydroxy-2-oxo-2,11b-dihydro-1h-cyclopenta[l]phenanthrene-3-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:

ethyl acetoacetate (141-97-9) + 9,10-phenanthrenequinone (84-11-7) → ethyl 3,3a-dihydro-3a-hydroxy-2-oxo-2H-cyclopentaphenanthrene-1-carboxylate (72471-15-9)

Guidance literature:

With piperidine; ethanol;

DOI:10.1021/ja01592a060

Reference yield:

ethanol (64-17-5) + ethyl acetoacetate (141-97-9) → ethyl 3,3a-dihydro-3a-hydroxy-2-oxo-2H-cyclopentaphenanthrene-1-carboxylate (72471-15-9)

Guidance literature:

DOI:10.1021/ja01553a050

Reference yield:

piperidine (110-89-4) + ethanol (64-17-5) + ethyl acetoacetate (141-97-9) → ethyl 3,3a-dihydro-3a-hydroxy-2-oxo-2H-cyclopentaphenanthrene-1-carboxylate (72471-15-9)

Guidance literature:

DOI:10.1021/ja01553a050

upstream raw materials:

ethyl acetoacetate

9,10-phenanthrenequinone

piperidine

ethanol

Downstream raw materials:

1,3-dihydro-2H-cyclopenta[l]phenanthrene-2-one

C₂₄H₂₀N₂O₂S

1H-cyclopenta[l]phenanthrene