13230-71-2

Basic information

• Product Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide
• Synonyms: acetamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2,2-trifluoro-
• CAS NO: 13230-71-2
• Molecular Formula: C₁₂H₁₄F₃NO₃
• Molecular Weight: 277.2397
• Mol File: 13230-71-2.mol
• Article Data: 20

Chemical Properties

• Boiling Point: 363.4°C at 760 mmHg
• Flash Point: 173.6°C
• Density: 1.228g/cm³
• Vapor Pressure: 1.81E-05mmHg at 25°C
• Refractive Index: 1.466
• CAS DataBase Reference: N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide(CAS DataBase Reference)
• NIST Chemistry Reference: N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide(13230-71-2)
• EPA Substance Registry System: N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide(13230-71-2)

Safety Data

• Hazardous Substances Data: 13230-71-2(Hazardous Substances Data)

Upstream product

• 120-20-7 2-(3,4-dimethoxyphenyl)-ethylamine 
• 76-05-1 trifluoroacetic acid 
• 91-16-7 1,2-dimethoxybenzene 
• 383-63-1 ethyl trifluoroacetate, 
• 407-25-0 trifluoroacetic anhydride 
• 91994-52-4 N-(trifluoroacetyl)-α-amino-3,4-dimethoxyacetophenone 

Downstream Products

• 3490-06-0 N-methylhomoveratrylamine 

Relevant articles and documents

Direct Synthesis of Protoberberine Alkaloids by Rh-Catalyzed C-H Bond Activation as the Key Step

A one-pot reaction of substituted benzaldehydes with alkyne-amines by a Rh-catalyzed C-H activation and annulation to afford various natural and unnatural protoberberine alkaloids is reported. This reaction provides a convenient route for the generation o

Efficient DBU accelerated synthesis of 18F-labelled trifluoroacetamides

Nucleophilic 18F-fluorination of bromodifluoromethyl derivatives was performed using [18F]Bu4NF in the presence of DBU (1,8-diazabicyclo[5.4.0]undec-7-ene). This novel procedure provided a diverse set of [18F]trifluoroacetamides in good to excellent radiochemical conversions. A mechanism where DBU acts as organomediator in this transformation is proposed.

Quantitative Silylation Speciations of Primary Phenylalkyl Amines, Including Amphetamine and 3,4-Methylenedioxyamphetamine Prior to Their Analysis by GC/MS

A novel, quantitative trimethylsilylation approach derivatizing 11 primary phenylalkyl amines (PPAAs), including amphetamine (A) and 3,4-methylenedioxyamphetamine (MDA), was noted. Triggering the fully derivatized ditrimethylsilyl (diTMS) species with the N-methyl-N-(trimethylsilyl)-trifluoroacetamide (MSTFA) reagent, a new principle was recognized followed by GC/MS. In the course of method optimization, the complementary impact of solvents (acetonitrile, ACN; ethyl acetate, ETAC; pyridine, PYR) and catalysts (trimethylchlorosilane, TMCS; trimethyliodosilane, TMIS) was studied: the role of solvent and catalyst proved to be equally crucial. Optimum, proportional, huge responses were obtained with the MSTFA/PYR = 2/1-9/1 (v/v) reagent applying catalysts; A and MDA needed the TMIS, while the rest of PPAAs provided the diTMS products also with TMCS. Similar to derivatives generated with hexamethyldisilazane and perfluorocarboxylic acid (HMDS and PFCA) (Molnár et al. Anal. Chem. 2015, 87, 848'852), the fully silylated PPAAs offer several advantages. Both of our methods save time and cost by allowing for direct injection of analytes into the column; this is in stark contrast with the requirement to evaporate acid anhydrides by nitrogen prior to their injection. Efficiences of the novel catalyzed trimethylsilylation (MSTFA) and our recently introduced (now, for A and MDA extended) acylation principle were contrasted. Catalyzed trimethylsilylation led to diTMS derivatives resulting in on average a 1.7 times larger response compared to the corresponding acylated species. Catalyzed trimethylsilylation of PPAAs, A, and MDA were characterized with retention, mass fragmentation, and analytical performance properties (R2, LOQ values). The practical utility of ditrimethylsilyation was shown by analyzing A in urine and mescaline (MSC) in cactus samples.