252331-63-8

Basic information

• Product Name: 1-(6-broMo-3,4-dihydro-2(1H)-isoquinolinyl)-2,2,2-trifluoro-Ethanone
• Synonyms: 1-(6-broMo-3,4-dihydro-2(1H)-isoquinolinyl)-2,2,2-trifluoro-Ethanone;6-Bromo-2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline
• CAS NO: 252331-63-8
• Molecular Formula: C₁₁H₉BrF₃NO
• Molecular Weight: 308.0944696
• EINECS: -0
• Mol File: 252331-63-8.mol
• Article Data: 13

Chemical Properties

• Boiling Point: 392.9±42.0 °C(Predicted)
• Appearance: /
• Density: 1.611±0.06 g/cm3(Predicted)
• PKA: -1.92±0.20(Predicted)
• CAS DataBase Reference: 1-(6-broMo-3,4-dihydro-2(1H)-isoquinolinyl)-2,2,2-trifluoro-Ethanone(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(6-broMo-3,4-dihydro-2(1H)-isoquinolinyl)-2,2,2-trifluoro-Ethanone(252331-63-8)
• EPA Substance Registry System: 1-(6-broMo-3,4-dihydro-2(1H)-isoquinolinyl)-2,2,2-trifluoro-Ethanone(252331-63-8)

Safety Data

• Hazardous Substances Data: 252331-63-8(Hazardous Substances Data)

Usage

Description

1-(6-bromo-3,4-dihydro-2(1H)-isoquinolinyl)-2,2,2-trifluoro-Ethanone is a fluorinated organic compound that features a trifluoro-ethanone group and a 6-bromo-3,4-dihydro-2(1H)-isoquinolinyl group. This unique structure positions it as a promising candidate in medicinal chemistry and drug discovery research, particularly for the development of pharmaceuticals with potential antipsychotic or antidepressant properties.

Uses

Used in Pharmaceutical Development:
1-(6-bromo-3,4-dihydro-2(1H)-isoquinolinyl)-2,2,2-trifluoro-Ethanone is used as a key intermediate in the synthesis of new pharmaceuticals due to its distinctive chemical structure. The presence of bromine and isoquinolinyl groups allows for the creation of compounds that may exhibit antipsychotic or antidepressant effects, addressing significant unmet needs in mental health treatment.
Used in Medicinal Chemistry Research:
In the field of medicinal chemistry, 1-(6-bromo-3,4-dihydro-2(1H)-isoquinolinyl)-2,2,2-trifluoro-Ethanone serves as a valuable building block for the design and synthesis of novel organic compounds. Its unique properties make it instrumental in exploring new therapeutic avenues and enhancing the pharmacological profiles of existing drugs.
Used in Drug Discovery:
1-(6-bromo-3,4-dihydro-2(1H)-isoquinolinyl)-2,2,2-trifluoro-Ethanone is utilized in drug discovery processes to identify and optimize lead compounds with potential therapeutic applications. Its structural attributes facilitate the development of innovative drugs that could improve patient outcomes and contribute to advancements in medical science.

Upstream product

• 58971-11-2 2-(3-bromophenyl)ethanamine 
• 50-00-0 formaldehyd 
• 215797-81-2 N-(3-bromophenethyl)-2,2,2-trifluoroacetamide 
• 73918-56-6 4-Bromophenethylamine 
• 407-25-0 trifluoroacetic anhydride 
• 64-19-7 acetic acid 
• 226942-29-6 6-bromo-1,2,3,4-tetrahydroisoquinoline 
• 181514-21-6 N-[2-(4-bromophenyl)ethyl]-2,2,2-trifluoroacetamide 

Downstream Products

• 939050-65-4 6-(5-benzylbenzofuran-2-yl)-1,2,3,4-tetrahydroisoquinoline 
• 226942-29-6 6-bromo-1,2,3,4-tetrahydroisoquinoline 
• 75416-51-2 8-bromo-1,2,3,4-tetrahydroisoquinoline 
• 726136-51-2 1,2,3,4-tetrahydro-8-[2-(trifluoromethyl)phenyl]isoquinoline 
• 726136-50-1 1,2,3,4-tetrahydro-6-[2-(trifluoromethyl)phenyl]isoquinoline 

Relevant articles and documents

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