1-(4-TrifluoroMethyl-phenyl)-isoquinoline

Base Information

• Chemical Name: 1-(4-TrifluoroMethyl-phenyl)-isoquinoline
• CAS No.: 76304-18-2
• Molecular Formula: C16H10F3N
• Molecular Weight: 273.257
• Mol file: 76304-18-2.mol

Synonyms:1-(4-fluoromethylphenyl)isoquinoline;1-(4-Trifluoromethyl-phenyl)-isoquinoline;1-(4-(trifluoromethyl)phenyl)isoquinoline;1-(4′-trifluoromethylphenyl)isoquinoline;1-(4-trifluoromethylphenyl)isoquinoline;1-(4'-trifluoromethylphenyl)isoquinoline;

Chemical Property of 1-(4-TrifluoroMethyl-phenyl)-isoquinoline

Chemical Property:

• PSA: 12.89000
• LogP: 4.92060

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• General Description: 1-(4-Trifluoromethylphenyl)isoquinoline (also referred to as 4tfmpiq) is a key ligand used in the synthesis of cyclometalated Ir(III) complexes, which exhibit applications in organic light-emitting diodes (OLEDs) due to their saturated red emission properties. It serves as a phenylisoquinoline-based structure that contributes to the photophysical and electrochemical characteristics of the resulting iridium complexes, as demonstrated in their use in both phosphorescent emitters and DFT-supported studies.

Technology Process of 1-(4-TrifluoroMethyl-phenyl)-isoquinoline

There total 6 articles about 1-(4-TrifluoroMethyl-phenyl)-isoquinoline 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: 99.0%

1-chloroisoquinoline (19493-44-8) + 4-trifluoromethylphenylboronic acid (128796-39-4) → 1-(4′-trifluoromethylphenyl)isoquinoline (76304-18-2)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In ethanol; water; toluene; at 70 ℃; for 3h; Inert atmosphere;

DOI:10.1021/acs.inorgchem.5b00369

Reference yield: 77.0%

→ 1-(4-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline (1159997-91-7) + 1-(4′-trifluoromethylphenyl)isoquinoline (76304-18-2)

Guidance literature:

With air; In N,N-dimethyl-formamide; at 100 ℃; for 24h; Schlenk technique; Green chemistry;

Reference yield: 67.0%

1-(4-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydroisoquinoline (757880-98-1) → hydrogen (1333-74-0) + 1-(4′-trifluoromethylphenyl)isoquinoline (76304-18-2)

Guidance literature:

With tetrakis(acetonitrile)palladium(II) bis(tetrafluoroborate); potassium hexafluoroantimonate; 9-(2-mesityl)-10-methylacridinium perchlorate; In dichloromethane; at 20 ℃; for 21h; Irradiation; Inert atmosphere;

DOI:10.1021/jacs.7b00253

upstream raw materials:

1-chloroisoquinoline

4-trifluoromethylphenylboronic acid

isoquinoline

4-trifluoromethylphenylamine

Downstream raw materials:

(R)-(-)-1-(4-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydroisoquinoline

C₂₇H₂₃F₃NO₂⁽¹⁺⁾*Br^(1-)

C₂₃H₁₇F₃N⁽¹⁺⁾*Br^(1-)