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Ethyl N-ethyl-beta-alaninate is a chemical compound with the molecular formula C8H17NO2, derived from beta-alanine, an amino acid found in carnosine. It is a colorless liquid with a fruity odor and is known for its ability to act as a chiral catalyst in various chemical reactions. Ethyl N-ethyl-beta-alaninate is also used as a flavoring agent in food products and is relatively stable under normal conditions. However, it is important to handle it with caution due to its potential to cause irritation to the skin, eyes, and respiratory system upon exposure.

23651-62-9

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23651-62-9 Usage

Uses

Used in Pharmaceutical Synthesis:
Ethyl N-ethyl-beta-alaninate is used as a chiral catalyst in the synthesis of pharmaceuticals, contributing to the development of enantiomerically pure compounds, which are essential for the efficacy and safety of many drugs.
Used in Agrochemical Synthesis:
In the agrochemical industry, ethyl N-ethyl-beta-alaninate is utilized as a chiral catalyst for the synthesis of various agrochemicals, including pesticides and herbicides, to ensure the production of enantiomerically pure active ingredients for effective and targeted pest control.
Used as a Flavoring Agent in Food Products:
Ethyl N-ethyl-beta-alaninate is employed as a flavoring agent in the food industry, providing a fruity aroma and taste to various food products, enhancing their overall sensory appeal.
Used in Chemical Research:
Due to its chiral properties, ethyl N-ethyl-beta-alaninate is used in chemical research for studying asymmetric synthesis, enantioselective reactions, and the development of new chiral catalysts and reagents. This contributes to the advancement of organic chemistry and the discovery of novel compounds with potential applications in various fields.

Check Digit Verification of cas no

The CAS Registry Mumber 23651-62-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,3,6,5 and 1 respectively; the second part has 2 digits, 6 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 23651-62:
(7*2)+(6*3)+(5*6)+(4*5)+(3*1)+(2*6)+(1*2)=99
99 % 10 = 9
So 23651-62-9 is a valid CAS Registry Number.

23651-62-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name Ethyl 3-ethylaminopropanoate

1.2 Other means of identification

Product number -
Other names -

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:23651-62-9 SDS

23651-62-9Relevant academic research and scientific papers

Regioselective γ-alkylation of tert-butyl 2,4-dioxopiperidine-1- carboxylate

Orsini, Paolo,Maccario, Alessandro,Colombo, Nicoletta

, p. 3185 - 3190 (2007)

A method for the regioselective γ-alkylation of N-Boc protected piperidine-2,4-dione is reported. The use of a wide variety of electrophiles demonstrates the robustness of the procedure. The reaction offers facile access to synthetically useful derivatives. A mechanistic hypothesis is given, explaining the essential role played by the lithium counter-ion. Georg Thieme Verlag Stuttgart.

Quantitative First-Principles Kinetic Modeling of the Aza-Michael Addition to Acrylates in Polar Aprotic Solvents

Desmet, Gilles B.,D'Hooge, Dagmar R.,Omurtag, Pinar Sinem,Espeel, Pieter,Marin, Guy B.,Du Prez, Filip E.,Reyniers, Marie-Fran?oise

, p. 12291 - 12302 (2016)

This work presents a detailed computational study and kinetic analysis of the aza-Michael addition of primary and secondary amines to acrylates in an aprotic solvent. Accurate rate coefficients for all elementary steps in the various competing mechanisms are calculated using an ONIOM-based approach in which the full system is calculated with M06-2X/6-311+G(d,p) and the core system with CBS-QB3 corrected for solvation using COSMO-RS. Diffusional contributions are taken into account using the coupled encounter pair model with diffusion coefficients calculated based on molecular dynamics simulations. The calculated thermodynamic and kinetic parameters for all forward and reverse elementary reactions are fed to a microkinetic model giving excellent agreement with experimental data obtained using GC analysis. Rate analysis reveals that for primary and secondary amines, the aza-Michael addition to ethyl acrylate occurs preferentially according to a 1,2-addition mechanism, consisting of the pseudoequilibrated formation of a zwitterion followed by a rate controlling amine assisted proton transfer toward the singly substituted product. The alternative 1,4-addition becomes competitive if substituents are present on the amine or double bond of the acrylate. Primary amines react faster than secondary amines due to increased solvation of the zwitterionic intermediate and less sterically hindered proton transfer.

HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF

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Paragraph 0335-0337, (2021/10/15)

The present invention relates to the technical field of pharmaceuticals. Specifically, the present invention relates to a halo-allylamine compound, or a pharmaceutically acceptable salt, an ester, a stereoisomer or a tautomer thereof, and a pharmaceutical formulation and a pharmaceutical composition comprising the compounds, and use in preventing and/or treating a disease related to or mediated by the SSAO/VAP-1 protein,wherein R1, R2, R3, R4, R5, R6, L1 and Cy1 are defined in the specification.

Compound, compound product and preparation method and application thereof

-

Paragraph 0027-0029, (2021/10/02)

The invention discloses a compound, a compound product and a preparation method and application thereof. The compound has the structural general formula shown 1, and R. 1 Alkyl. A compound product comprising the compound of Formula 1. The compound and the compound product can be used for repelling insects, and the repelling effect is good.

New disulfiram derivatives as magl-selective inhibitors

Omran, Ziad

, (2021/06/17)

Monoacylglycerol lipase (MAGL) is a key enzyme in the human endocannabinoid system. It is also the main enzyme responsible for the conversion of 2-arachidonoyl glycerol (2-AG) to arachidonic acid (AA), a precursor of prostaglandin synthesis. The inhibition of MAGL activity would be beneficial for the treatment of a wide range of diseases, such as inflammation, neurodegeneration, metabolic disorders and cancer. Here, the author reports the pharmacological evaluation of new disulfiram derivatives as potent inhibitors of MAGL. These analogues displayed high inhibition selectivity over fatty acid amide hydrolase (FAAH), another endocannabinoid-hydrolyzing enzyme. In particular, compound 2i inhibited MAGL in the low micromolar range. However, it did not show any inhibitory activity against FAAH.

3-AMINO-2-[2-(ACYLAMINO)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE AS CSNK1 INHIBITORS

-

Page/Page column 94, (2020/08/22)

Compounds of formula (I), processes for their production and their use as pharmaceuticals. The compounds are inhibitors of Casein kinase 1 alpha and/or delta ( CSNK1α and/or 6) useful for the treatment of proliferative disorders. (l)

CARBOXYLIC ACID COMPOUNDS

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Paragraph 0257, (2013/12/03)

The present disclosure concerns at least one entity chosen from compounds of Formula (I) and pharmaceutically acceptable salts thereof: (I) wherein the variable groups X, R1, R2, R3 m, n and p are as defined herein. The present disclosure also relates to methods for the preparation of at least one such entity, and intermediates useful in the preparation thereof, to pharmaceutical compositions containing at least one such entity, to the use of at least one such entity in the preparation of medicaments, and to the use of at least one such entity in the treatment of conditions such as, for example, allergic diseases, autoimmune diseases, viral diseases, and cancer.

Highly efficient procedure for the conjugate addition of amines to electron deficient alkenes

Liao, An-Ping,Lan, Ping,Li, Mei,Lan, Li-Hong

experimental part, p. 225 - 228 (2010/09/04)

The novel efficient procedure has been developed for the conjugate addition of amines to electron deficient alkenes. The results showed that the catalyst was very efficient for the reactions with the excellent yields in several minutes. Operational simplicity, without need of any solvent, low cost of the catalyst used, high yields, reusability, excellent chemoselectivity, applicability to large-scale reactions are the key features of this methodology. The article is published in the original.

Haptens, immunogens, antibodies and conjugates to 2-oxo-3-hydroxy-LSD

-

, (2008/06/13)

The invention provides a hapten derivatised with a crosslinker at the nitrogen of the 8β-carboxamide of 2-oxo-3-hydroxy LSD. The invention also provides an immunogen comprising the aforementioned hapten coupled to an antigenicity-conferring carrier material; a conjugate comprising the aforementioned hapten coupled to a labelling agent, as well as, antibodies raised against the aforementioned immunogen and capable of binding with at least the 3-hydroxy-2-pyrrolidone structural epitope of 2-oxo-3-hydroxy LSD.

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