2,3,5,6-Tetrahydro-5-(4-fluorophenyl)-imidazo(2,1-a)isoquinolin-5-ol

Base Information

• Chemical Name: 2,3,5,6-Tetrahydro-5-(4-fluorophenyl)-imidazo(2,1-a)isoquinolin-5-ol
• CAS No.: 56882-41-8
• Molecular Formula: C17H15 F N2 O
• Molecular Weight: 282.31
• DSSTox Substance ID: DTXSID90972308
• Nikkaji Number: J61.477G
• ChEMBL ID: CHEMBL165658
• Mol file: 56882-41-8.mol

Synonyms:56882-41-8;2,3,5,6-Tetrahydro-5-(4-fluorophenyl)-imidazo(2,1-a)isoquinolin-5-ol;BRN 0682182;5-(4-fluorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol;2,3,5,6-Tetrahydro-5-(4-fluorophenyl)imidazo[2,1-a]isoquinolin-5-ol;Imidazo(2,1-a)isoquinolin-5-ol, 2,3,5,6-tetrahydro-5-(p-fluorophenyl)-;Maybridge1_004280;CHEMBL165658;SCHEMBL9693889;HMS553K14;DTXSID90972308;CCG-46152;JFD 03924;LS-77914;SR-01000635866-1;BRD-A51141294-001-02-8;5-(4-fluorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-a]isoquinolin-5-ol

Chemical Property of 2,3,5,6-Tetrahydro-5-(4-fluorophenyl)-imidazo(2,1-a)isoquinolin-5-ol

Chemical Property:

• Vapor Pressure: 2.16E-08mmHg at 25°C
• Boiling Point: 436.5°C at 760 mmHg
• Flash Point: 217.8°C
• PSA: 35.83000
• Density: 1.32g/cm³
• LogP: 1.66280
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 282.11684127
• Heavy Atom Count: 21
• Complexity: 433

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CN2C(=N1)C3=CC=CC=C3CC2(C4=CC=C(C=C4)F)O

Technology Process of 2,3,5,6-Tetrahydro-5-(4-fluorophenyl)-imidazo(2,1-a)isoquinolin-5-ol

There total 3 articles about 2,3,5,6-Tetrahydro-5-(4-fluorophenyl)-imidazo(2,1-a)isoquinolin-5-ol 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-(o-tolyl)-2(1H)-imidazoline + 4-fluorobenzoic acid ethyl ester (451-46-7) → 5-(p-fluorophenyl)-2,3,5,6-tetrahydro-imidazo[2,1-a]isoquinolin-5-ol (56882-41-8)

Guidance literature:

With n-butyllithium; sodium carbonate; In tetrahydrofuran; methanol; methanol-dichloromethane; hexane; water; acetic acid;

Reference yield:

methyl 4-flurobenzoate (403-33-8) + 2-(o-Tolyl)-2-imidazoline (57327-93-2) → 5-(p-fluorophenyl)-2,3,5,6-tetrahydro-imidazo[2,1-a]isoquinolin-5-ol (56882-41-8)

Guidance literature:

With n-butyllithium; Yield given. Multistep reaction; 1.) THF, hexane, 35 deg C, 4 h, 2.) THF, hexane, -20 deg C, 3 h;

DOI:10.1021/jm00359a025

Reference yield:

→ 5-(p-fluorophenyl)-2,3,5,6-tetrahydro-imidazo[2,1-a]isoquinolin-5-ol (56882-41-8)

Guidance literature:

2-o-Tolyl-Δ²-imidazolin, Butyllithium, 4-Fluorbenzoesaeure-aethylester;

upstream raw materials:

methyl 4-flurobenzoate

2-(o-Tolyl)-2-imidazoline

4-fluorobenzoic acid ethyl ester

Refernces

• 1、 Houlihan,Gogerty,Parrino,Ryan. "Antidepressant activity of 5-aryl-2,3,5,6-tetrahydroimidazo[2,1-a]isoquinolin-5-ols". . p. 765 - 768. Retrieved 2007/10/02.