519004-34-3

Basic information

• Product Name: 2-Propenamide,N-(2-fluorophenyl)-(9CI)
• Synonyms: 2-Propenamide,N-(2-fluorophenyl)-(9CI)
• CAS NO: 519004-34-3
• Molecular Formula: C₉H₈FNO
• Molecular Weight: 165.1643232
• Product Categories: HALIDE
• Mol File: 519004-34-3.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 297.7±32.0 °C(Predicted)
• Appearance: /
• Density: 1.193±0.06 g/cm3(Predicted)
• PKA: 12.55±0.70(Predicted)
• CAS DataBase Reference: 2-Propenamide,N-(2-fluorophenyl)-(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Propenamide,N-(2-fluorophenyl)-(9CI)(519004-34-3)
• EPA Substance Registry System: 2-Propenamide,N-(2-fluorophenyl)-(9CI)(519004-34-3)

Safety Data

• Hazardous Substances Data: 519004-34-3(Hazardous Substances Data)

Usage

Derivative of acrylamide

Contains a fluorine substituent on the phenyl ring

Uses

Synthesis of pharmaceuticals and agrochemicals
Intermediate in the production of dyes, polymers, and other organic compounds
Potential applications in material science and nanotechnology

Caution

Skin and eye irritant
Harmful if ingested or inhaled

Upstream product

• 348-54-9 2-Fluoroaniline 
• 814-68-6 acryloyl chloride 

Relevant articles and documents

Synthesis of 4-Trifluoromethylated 1,3-Butadienes via Palladium Catalyzed Heck Reaction

1,3-Butadiene plays a key role in modern synthetic chemistry and biochemistry because it is a key intermediate in the synthesis of many drugs. A new and effective method for the synthesis of 4-trifluoromethylated 1,3-butadiene through the fluorinated Heck reaction catalyzed by Pd(0) is described. Without additives, 1-chloro-3,3,3-trifluoropropene (an inexpensive CF3 structural unit that is harmless to ozone) reacts with enamide to synthesize 4-trifluoromethylated 1,3-butadienes with good yield, high regioselectivity and chemical selectivity, and strong tolerance of substrate functional groups such as alkynes, aldehyde, and ester groups.

Systematic study of the glutathione (GSH) reactivity of N-arylacrylamides: 1. Effects of aryl substitution

Success in the design of targeted covalent inhibitors depends in part on a knowledge of the factors influencing electrophile reactivity. In an effort to further develop an understanding of structure-reactivity relationships among N-arylacrylamides, we determined glutathione (GSH) reaction rates for a family of N-arylacrylamides independently substituted at ortho-, meta-, and para-positions with 11 different groups common to inhibitor design. We find that substituent effects on reaction rates show a linear Hammett correlation for ortho-, meta-, and para-substitution. In addition, we note a correlation between 1H and 13C NMR chemical shifts of the acrylamide with GSH reaction rates, suggesting that NMR chemical shifts may be a convenient surrogate measure of relative acrylamide reactivity. Density functional theory calculations reveal a correlation between computed activation parameters and experimentally determined reaction rates, validating the use of such methodology for the screening of synthetic candidates in a prospective fashion.

INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE

The present invention relates to novel heterocyclic compounds as diacylglycerol acyltransferase (“DGAT”) inhibitors, pharmaceutical compositions comprising the heterocyclic compounds and the use of the compounds for treating or preventing a cardiovascular disease, a metabolic disorder, obesity or an obesity-related disorder, diabetes, dyslipidemia, a diabetic complication, impaired glucose tolerance or impaired fasting glucose. An illustrative compound of the invention is shown below: formula (I).