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Ethyl 3-(tert-butylamino)propanoate, also known as N-(tert-butyl)-β-alanine ethyl ester, is an organic compound that serves as a reagent in the synthesis of various chemical compounds. It is characterized by its ester functional group and a tert-butylamino side chain, which contribute to its reactivity and potential applications in chemical synthesis.

1462-98-2

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1462-98-2 Usage

Uses

Used in Pharmaceutical Industry:
Ethyl 3-(tert-butylamino)propanoate is used as a synthetic reagent for the production of benzopyrans, which are a class of organic compounds with potential applications in the development of pharmaceuticals. These benzopyrans have been studied for their biological activities, including their potential use as anti-inflammatory, anti-cancer, and anti-HIV agents.
Used in Chemical Research:
In the field of chemical research, Ethyl 3-(tert-butylamino)propanoate is used as a synthetic reagent for the synthesis of strained β-lactams. β-lactams are a class of compounds that include penicillins and other antibiotics, making this reagent valuable for the development of new antibiotics and other bioactive molecules.
Used in Synthesis of Other Compounds:
Ethyl 3-(tert-butylamino)propanoate can also be used as a reagent in the synthesis of other complex organic compounds, contributing to the advancement of organic chemistry and the development of new materials and pharmaceuticals. Its versatility as a synthetic building block makes it a valuable tool in the hands of chemists and researchers.

Check Digit Verification of cas no

The CAS Registry Mumber 1462-98-2 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,4,6 and 2 respectively; the second part has 2 digits, 9 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 1462-98:
(6*1)+(5*4)+(4*6)+(3*2)+(2*9)+(1*8)=82
82 % 10 = 2
So 1462-98-2 is a valid CAS Registry Number.

1462-98-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name Ethyl 3-(tert-butylamino)propanoate

1.2 Other means of identification

Product number -
Other names ethyl 3-tert-buthylamino-3-oxopropanoate

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:1462-98-2 SDS

1462-98-2Relevant academic research and scientific papers

The Conformational Analysis of Saturated Heterocycles. Part 100. 1-Oxa-3-azacyclohexanes

Katritzky, Alan R.,Baker, Victor J.,Brito-Palma, Fernando M. S.

, p. 1739 - 1745 (1980)

Conformational equilibria and barriers to ring and nitrogen inversion are determined by 1H and 13C n.m.r. for 13 1-oxa-3-azacyclohexanes and correlated with recent work on the conformational analysis of saturated heterocycles.

Exploring the Conformation of Mixed Cis- Trans α,β-Oligopeptoids: A Joint Experimental and Computational Study

Dumonteil, Geoffrey,Bhattacharjee, Nicholus,Angelici, Gaetano,Roy, Olivier,Faure, Sophie,Jouffret, Laurent,Jolibois, Franck,Perrin, Lionel,Taillefumier, Claude

, p. 6382 - 6396 (2018)

The synthesis and conformational preferences of a set of new synthetic foldamers that combine both the α,β-peptoid backbone and side chains that alternately promote cis- and trans-amide bond geometries have been achieved and addressed jointly by experiment and molecular modeling. Four sequence patterns were thus designed and referred to as cis-β-trans-α, cis-α-trans-β, trans-β-cis-α, and trans-α-cis-β. α- and βNtBu monomers were used to enforce cis-amide bond geometries and α- and βNPh monomers to promote trans-amides. NOESY and molecular modeling reveal that the trans-α-cis-β and cis-β-trans-α tetramers show a similar pattern of intramolecular weak interactions. The same holds for the cis-α-trans-β and trans-β-cis-α tetramers, but the interactions are different in nature than those identified in the trans-α-cis-β-based oligomers. Interestingly, the trans-α-cis-β peptoid architecture allows establishment of a larger amount of structure-stabilizing intramolecular interactions.

HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF

-

Paragraph 0209-0211, (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.

Design and evaluation of switchable-hydrophilicity solvents

Vanderveen, Jesse R.,Durelle, Jeremy,Jessop, Philip G.

, p. 1187 - 1197 (2014/03/21)

Switchable-hydrophilicity solvents (SHSs) are solvents that can switch reversibly between one form that is miscible with water to another that forms a biphasic mixture with water. For these SHSs, we use CO2 at 1 bar as a stimulus for triggering the transformation to the water-miscible form and removal of CO2 to achieve the reverse. We now report the identification of 13 new SHSs, including the first secondary amine SHSs, and a comparison of all known SHSs in terms of safety and environmental impacts. Amines which include another functional group, especially oxygen-containing groups, are less hazardous than alkylamines. Secondary amines can have improved switching speeds relative to tertiary amines. The variety of SHSs identified suggests that amine SHSs can be designed to have ideal properties for a given application.

Visible light-mediated synthesis of (Spiro)anellated furans

Kachkovskyi, Georgiy,Faderl, Christian,Reiser, Oliver

supporting information, p. 2240 - 2248 (2013/10/01)

Visible light-mediated decarboxylation using N-acyloxyphthalimides as the source for carbon-centered radicals was applied for the synthesis of spirobutenolides. The utility of this approach is demonstrated with the formal synthesis of (S)-(+)-lycoperdic acid. Alternatively, 2,3-anellated furans can be obtained in a one-pot procedure via photocyclization following a regioselective semipinacol rearrangement.

Phenyl chloro(thionoformate): A new dealkylating agent of tertiary amines

Milan, David S.,Prager, Rolf H.

, p. 841 - 849 (2007/10/03)

Phenyl chloro(thionoformate) reacts rapidly with unhindered tertiary aliphatic amines at 20° to give a thiocarbamate and an alkyl chloride. Dialkylcyclohexylamines react surprisingly rapidly to form predominantly cyclohexene. The thiocarbamates are converted into the secondary amine salt by treatment with dimethyl sulfate, followed by hydrolysis with water. Rates of reaction and alkyl group cleavage selectivity in amines were found to be superior or comparable to those previously reported with chloroformates.

Monoalkylaminomethylation d'organometalliques a l'aide de N-alkyl N-trimethylsilyl alkoxymethylamines

Courtois, G.,Miginiac, L.

, p. 127 - 142 (2007/10/02)

The simple or functional N-alkyl-N-trimethylsilylalkoxymethylamines are very convenient new reagents for the route to unsymmetrical secondary functional amines from organometallic compounds (M=Al, Mg, Zn) prepared from α-unsaturated halides, functional terminal alkynes or α-bromoesters (or amides).

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