Lu AE 58054 Hydrochloride

Base Information

• Chemical Name: Lu AE 58054 Hydrochloride
• CAS No.: 467458-02-2
• Molecular Formula: C20H20ClF5N2O
• Molecular Weight: 434.837
• Mol file: 467458-02-2.mol

Synonyms:Lu AE58054 Hydrochloride;CS-1359;N-(2-(6-fluoro-1H-indol-3-yl)ethyl)-3-(2,2,3,3-tetrafluoropropoxy)benzylamine hydrochloride;

Chemical Property of Lu AE 58054 Hydrochloride

Chemical Property:

• PSA: 37.05000
• LogP: 6.11140
• Solubility.: ≥21.74 mg/mL in DMSO; ≥3.83 mg/mL in H2O with gentle warming and ultrasonic; ≥51.2 mg/mL in EtOH

Purity/Quality:

97% ^*data from raw suppliers

LuAE58054Hydrochloride 98+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Lu AE 58054 Hydrochloride

There total 12 articles about Lu AE 58054 Hydrochloride 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: 94.0%

(E)-N-(2-(6-fluoro-1H-indol-3-yl)ethyl)-1-(3-(2,2,3,3-tetrafluoropropoxy)phenyl)methanimine → [2-(6-fluoro-1H-indol-3-yl)ethyl]({[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl})amine HCl salt (467458-02-2)

Guidance literature:

(E)-N-(2-(6-fluoro-1H-indol-3-yl)ethyl)-1-(3-(2,2,3,3-tetrafluoropropoxy)phenyl)methanimine; With 5%-palladium/activated carbon; hydrogen; In isopropyl alcohol; toluene; at 20 ℃; for 3h; under 750.075 Torr;

With hydrogenchloride; In water; isopropyl alcohol; toluene; Inert atmosphere;

Reference yield: 84.0%

Lu AE58054 → [2-(6-fluoro-1H-indol-3-yl)ethyl]({[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl})amine HCl salt (467458-02-2)

Guidance literature:

With hydrogenchloride; In diethyl ether; at 20 ℃; pH=3;

Reference yield: 80.0%

3-(2,2,3,3-tetrafluoropropoxy)benzaldehyde (133487-66-8) + 2-(6-fluoro-1H-indol-3-yl)ethylamine tartrate → [2-(6-fluoro-1H-indol-3-yl)ethyl]({[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl})amine HCl salt (467458-02-2)

Guidance literature:

2-(6-fluoro-1H-indol-3-yl)ethylamine tartrate; With sodium hydroxide; In tetrahydrofuran; toluene;

3-(2,2,3,3-tetrafluoropropoxy)benzaldehyde; In isopropyl alcohol; at 60 ℃; for 2.5h;

With sodium tetrahydroborate; In isopropyl alcohol; at 55 ℃; for 2.5h;

upstream raw materials:

6-fluoro-1H-indole

1-(6-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine

3-(2,2,3,3-tetrafluoropropoxy)benzaldehyde

2-nitro-4-fluorotoluene