819-60-3

Basic information

• Product Name: N-(2,2,2-TRIFLUOROETHYL)UREA
• Synonyms: 1-(2,2,2-trifluoroethyl)urea;2,2,2-trifluoroethylurea
• CAS NO: 819-60-3
• Molecular Formula: C₃H₅F₃N₂O
• Molecular Weight: 142.0798
• Mol File: 819-60-3.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 115.9 °C at 760 mmHg
• Flash Point: 23.9 °C
• Appearance: /
• Density: 1.365 g/cm³
• Vapor Pressure: 18.7mmHg at 25°C
• Refractive Index: 1.37
• PKA: 11.89±0.46(Predicted)
• CAS DataBase Reference: N-(2,2,2-TRIFLUOROETHYL)UREA(CAS DataBase Reference)
• NIST Chemistry Reference: N-(2,2,2-TRIFLUOROETHYL)UREA(819-60-3)
• EPA Substance Registry System: N-(2,2,2-TRIFLUOROETHYL)UREA(819-60-3)

Safety Data

• Hazardous Substances Data: 819-60-3(Hazardous Substances Data)

Usage

General Description

N-(2,2,2-TRIFLUOROETHYL)UREA is a chemical compound with the molecular formula C3H5F3N2O. It is a synthetic compound commonly used as a reagent in organic synthesis and pharmaceutical research. It is also known for its application as an intermediate in the production of various pharmaceuticals and agrochemicals. N-(2,2,2-TRIFLUOROETHYL)UREA is a white crystalline solid that is sparingly soluble in water and most organic solvents. It is important to handle this compound with care and follow proper safety protocols when working with it in a laboratory setting due to its potential hazards if not handled properly.

InChI:InChI=1/C3H5F3N2O/c4-3(5,6)1-8-2(7)9/h1H2,(H3,7,8,9)

Upstream product

• 590-28-3 potassium cyanate 
• 753-90-2 trifluoroethylamine 
• 373-88-6 2,2,2-trifluroethylamine hydrochloride 

Relevant articles and documents

A Physical Organic Approach to Tuning Reagents for Selective and Stable Methionine Bioconjugation

We report a data-driven, physical organic approach to the development of new methionine-selective bioconjugation reagents with tunable adduct stabilities. Statistical modeling of structural features described by intrinsic physical organic parameters was applied to the development of a predictive model and to gain insight into features driving the stability of adducts formed from the chemoselective coupling of oxaziridine and methionine thioether partners through Redox Activated Chemical Tagging (ReACT). From these analyses, a correlation between sulfimide stabilities and sulfimide ν (C=O) stretching frequencies was revealed. We exploited the rational gains in adduct stability exposed by this analysis to achieve the design and synthesis of a bis-oxaziridine reagent for peptide stapling. Indeed, we observed that a macrocyclic peptide formed by ReACT stapling at methionine exhibited improved uptake into live cells compared to an unstapled congener, highlighting the potential utility of this unique chemical tool for thioether modification. This work provides a template for the broader use of data-driven approaches to bioconjugation chemistry and other chemical biology applications.

THE SYNTHESIS OF ANTINEOPLASTIC AGENTS. XXXII. N-NITROSOUREAS. I.

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