65651-80-1

Basic information

• Product Name: ETHYL TRANS-3-(1-PYRROLIDINO)ACRYLATE
• Synonyms: Ethyl3-(1-pyrrolidinyl)acrylate;Ethyl trans-3-(1-pyrrolidinyl)acrylate;Ethyl 3-(pyrrolidin-1-yl)acrylate;ETHYL TRANS-3-(1-PYRROLIDINO)ACRYLATE;Ethyl trans-3-(1-pyrrolidino)propenoate;Ethyl trans-3-(1-pyrrolidino)acrylate, 98+%;Ethyl trans-3-(1-pyrrolidinyl)acrylate, 98+%
• CAS NO: 65651-80-1
• Molecular Formula: C₉H₁₅NO₂
• Molecular Weight: 169.22
• EINECS: -0
• Mol File: 65651-80-1.mol
• Article Data: 9

Chemical Properties

• Melting Point: 43-45°C
• Boiling Point: 118°C 1mm
• Flash Point: 118°C/1mm
• Appearance: /
• Density: 1.112g/cm³
• Vapor Pressure: 0.028mmHg at 25°C
• Refractive Index: 1.554
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 6.09±0.20(Predicted)
• BRN: 4399757
• CAS DataBase Reference: ETHYL TRANS-3-(1-PYRROLIDINO)ACRYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL TRANS-3-(1-PYRROLIDINO)ACRYLATE(65651-80-1)
• EPA Substance Registry System: ETHYL TRANS-3-(1-PYRROLIDINO)ACRYLATE(65651-80-1)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-36
• Hazardous Substances Data: 65651-80-1(Hazardous Substances Data)

Usage

General Description

Ethyl Trans-3-(1-Pyrrolidino)acrylate is a chemical compound that belongs to the category of organic compounds known as pyrrolidines. It's a substance primarily used in chemical research and experimentation due to its potentiality to react under a variety of conditions. The physical characteristics of this chemical include a semi-volatile nature accompanied by high reactivity. The ethyl group attached indicates that it may participate in reactions as a nucleophile or donate electrons. It's worth noting that proper handling and usage of this chemical under laboratory conditions is essential due to its potential hazards.

InChI:InChI=1/C9H15NO2/c1-2-12-9(11)5-8-10-6-3-4-7-10/h5,8H,2-4,6-7H2,1H3/b8-5+

Upstream product

• 123-75-1 pyrrolidine 
• 623-47-2 propynoic acid ethyl ester 
• 35247-24-6 ethyl 3-oxo-3-(pyrrolidin-1-yl)propanoate 
• 105-37-3 Ethyl propionate 

Downstream Products

• 23350-02-9 3-phenylisoxazol-4-amine 
• 418783-97-8 C₁₃H₁₃NO₄ 
• 639523-11-8 3-ethyl-isoxazole-4-carboxylic acid ethyl ester 
• 29363-98-2 3-(4-chloro-phenyl)-isoxazole-4-carboxylic acid ethyl ester 
• 65651-78-7 4-(1-Azacyclopentyl)-5-phenyloxacyclopent-3-en-2-one 
• 20328-15-8 3-methylisoxazole-4-carboxylic acid ethyl ester 
• 5562-05-0 4-(4-nitro-phenyl)-pyridine-2,5-dicarboxylic acid diethyl ester 

Relevant articles and documents

Solvent-controlled two-step one-pot syntheses of α-X (X = Br or Cl) enamino ketones/esters and 3-(2,5-dioxopyrrolidin-1-yl)acrylate by using terminal carbonyl alkynes

A new two-step one-pot aminobromination/chlorination of carbonyl alkynes has been achievedviaa Michael addition of aliphatic secondary amines and subsequent β-bromination/chlorination of the obtained enamines to afford various α-X (X = Br or Cl) enamino ketones/esters in moderate to good yields. A solvent-controllable protocol has been developed to produce versatile 3-(2,5-dioxopyrrolidin-1-yl)acrylates in moderate yields by using toluene as the solvent and chain alkyl propiolates as alkynyl substrates.

Ir-catalyzed chemoselective reduction of β-amido esters: A versatile approach to β-enamino esters

The conversion of β-amido esters to β-enamino esters is an indispensable step for some synthetic approaches to alkaloids and related medicines. Known methods for such transformation are not only stepwise, but also proceed with low atom-efficiency. Herein, we report a direct and versatile approach that features the Ir-catalyzed chemoselective reduction of β-amido esters with 1,1,3,3-tetramethyldisiloxane (TMDS). In addition, a lack of some signals was observed in the 13C NMR spectra of some alicyclic β-enamino esters. This revealed a longstanding existing but being ignored phenomenon in the literature.

A field-based disparity analysis of new 1,2,5-oxadiazole derivatives endowed with antiproliferative activity

A series of 1,2,5-oxadiazoles were synthesized as new potential antiproliferative agents. The in vitro cytotoxic activity evaluation of title compounds through MTT assay revealed that some of them showed significant activity against the HCT-116 cancer cell line. The field-based disparity analysis provided indications about the electrostatic, hydrophobic, and shape features underlying the cytotoxicity, suggesting that increasing the negative electrostatic field on the heterocyclic core of the structure has positive effects on the activity. The structure–activity relationships (SAR) around a particular compound can be explained allowing for a structural rationale for the differences in activity. The SAR provided by this series of compounds can be exploited to carry out further lead optimization.