Ethyl 2-(isoquinolin-1-ylmethyl)-3-oxo-3-phenylpropanoate

Base Information

• Chemical Name: Ethyl 2-(isoquinolin-1-ylmethyl)-3-oxo-3-phenylpropanoate
• CAS No.: 87365-05-7
• Molecular Formula: C21H19NO3
• Molecular Weight: 333.3805
• NSC Number: 115803
• DSSTox Substance ID: DTXSID80297390

Synonyms:87365-05-7;ethyl 2-(isoquinolin-1-ylmethyl)-3-oxo-3-phenylpropanoate;NSC115803;DTXSID80297390;NSC-115803;Ethyl 2-[(isoquinolin-1-yl)methyl]-3-oxo-3-phenylpropanoate

Chemical Property of Ethyl 2-(isoquinolin-1-ylmethyl)-3-oxo-3-phenylpropanoate

Chemical Property:

• Vapor Pressure: 2.28E-10mmHg at 25°C
• Boiling Point: 506.2°Cat760mmHg
• Flash Point: 259.9°C
• Density: 1.195g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 333.13649347
• Heavy Atom Count: 25
• Complexity: 458

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(CC1=NC=CC2=CC=CC=C21)C(=O)C3=CC=CC=C3

Technology Process of Ethyl 2-(isoquinolin-1-ylmethyl)-3-oxo-3-phenylpropanoate

There total 2 articles about Ethyl 2-(isoquinolin-1-ylmethyl)-3-oxo-3-phenylpropanoate 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:

2-benzoyl-1-cyano-1,2-dihydroisoquinoline (844-25-7,55839-33-3) → ethyl 2-benzoyl-3-(1-isoquinolinyl)propionate (87365-05-7)

Guidance literature:

With 1,4-dioxane; diethyl ether; phenyllithium; Behandeln der Reaktionsloesung mit Aethylacrylat;

DOI:10.1021/ja01111a022

Reference yield:

2-benzoyl-1-cyano-1,2-dihydroisoquinoline (844-25-7,55839-33-3) + ethyl acrylate (140-88-5,9003-32-1) → ethyl 2-benzoyl-3-(1-isoquinolinyl)propionate (87365-05-7)

Guidance literature:

DOI:10.1021/ja01111a022

Reference yield:

ethyl 2-benzoyl-3-(1-isoquinolinyl)propionate (87365-05-7) → 2-benzoyl-2H-pyrrolo[2,1-a]isoquinolin-3-one

Guidance literature:

at 170 ℃; under 0.05 Torr;

DOI:10.1021/ja01111a022

upstream raw materials:

2-benzoyl-1-cyano-1,2-dihydroisoquinoline

ethyl acrylate

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