306761-54-6

Basic information

• Product Name: 1-METHYL-1-(4-TRIFLUOROMETHYLPHENYL)ETHYLAMINE
• Synonyms: 1-METHYL-1-(4-TRIFLUOROMETHYLPHENYL)ETHYLAMINE;1-METHYL-1-(4-TRIFLUOROMETHYLPHENYL)ETHYLAMINE-HCL;2-(4-(Trifluoromethyl)phenyl)propan-2-amine;1-(4-Trifluoromethylphenyl)-1-methylethylamine HCl
• CAS NO: 306761-54-6
• Molecular Formula: C₁₀H₁₂F₃N
• Molecular Weight: 203.21
• Mol File: 306761-54-6.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 219.68°C at 760 mmHg
• Flash Point: 91.265°C
• Appearance: /
• Density: 1.149g/cm³
• Vapor Pressure: 0.118mmHg at 25°C
• Refractive Index: 1.461
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 8.88±0.10(Predicted)
• CAS DataBase Reference: 1-METHYL-1-(4-TRIFLUOROMETHYLPHENYL)ETHYLAMINE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-METHYL-1-(4-TRIFLUOROMETHYLPHENYL)ETHYLAMINE(306761-54-6)
• EPA Substance Registry System: 1-METHYL-1-(4-TRIFLUOROMETHYLPHENYL)ETHYLAMINE(306761-54-6)

Safety Data

• Hazardous Substances Data: 306761-54-6(Hazardous Substances Data)

Usage

General Description

1-METHYL-1-(4-TRIFLUOROMETHYLPHENYL)ETHYLAMINE is a chemical compound with the molecular formula C10H12F3N. It is an amine, which means it contains a nitrogen atom bonded to at least one hydrogen atom, and its structure includes a phenyl group with a trifluoromethyl substituent. 1-METHYL-1-(4-TRIFLUOROMETHYLPHENYL)ETHYLAMINE is used as a building block in the synthesis of pharmaceuticals and other organic molecules. It may also be used as an intermediate in the production of various chemicals and materials. Additionally, it is important to handle this chemical with care, as it may pose health and environmental risks if not properly managed.

InChI:InChI=1/C10H12F3N/c1-9(2,14)7-3-5-8(6-4-7)10(11,12)13/h3-6H,14H2,1-2H3

Upstream product

• 455-18-5 4-CF₃C₆H₄CN 
• 917-54-4 methyllithium 
• 402-43-7 p-trifluoromethylphenyl bromide 
• 2252-62-2 2-(4-(trifluoromethyl)phenyl)propan-2-ol 
• 75-16-1 methylmagnesium bromide 

Relevant articles and documents

Optimization of N-benzyl-5-nitrofuran-2-carboxamide as an antitubercular agent

The optimization campaign for a nitrofuran antitubercular hit (N-benzyl-5-nitrofuran-2-carboxamide; JSF-3449) led to the design, synthesis, and biological profiling of a family of analogs. These compounds exhibited potent in vitro antitubercular activity (MIC = 0.019–0.20 μM) against the Mycobacterium tuberculosis H37Rv strain and low in vitro cytotoxicity (CC50 = 40–>120 μM) towards Vero cells. Significant improvements in mouse liver microsomal stability and mouse pharmacokinetic profile were realized by introduction of an α α-dimethylbenzyl moiety. Among these compounds, JSF-4088 is highlighted due to its in vitro antitubercular potency (MIC = 0.019 μM) and Vero cell cytotoxicity (CC50 > 120 μM). The findings suggest a rationale for the continued evolution of this promising series of antitubercular small molecules.

Rapid Ti(Oi-Pr)4 facilitated synthesis of α,α,α-trisubstituted primary amines by the addition of Grignard reagents to nitriles under microwave heating conditions

A series of carbinamines (α,α,α-trisubstituted amines) have been prepared in a simple and efficient one-pot procedure by the addition of Grignard reagents to a series of aliphatic, aromatic and heteroaromatic nitriles. The resulting magnesium imines are subsequently converted to the desired amine after treatment with Ti(Oi-Pr)4 and additional microwave heating. Key to this procedure is the use of microwave heating for both steps of the reaction protocol, which significantly improves both reaction yields and reduces reaction times. In general, the Grignard addition reaction is complete within 5-10 min at 100 °C followed by conversion with Ti(Oi-Pr)4 and additional microwave heating to give the target amines in good yields.