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ETHYL3-(BENZYLAMINO)BUTANOATE, with the molecular formula C13H19NO2, is a chemical ester compound derived from the reaction between an alcohol and an acid. It is recognized for its distinctive fruity and floral aroma, making it a valuable ingredient in the production of pharmaceuticals, perfumes, and flavorings. Additionally, it serves as a precursor in organic synthesis and a building block for the preparation of other organic compounds.

6335-80-4

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6335-80-4 Usage

Uses

Used in Pharmaceutical Industry:
ETHYL3-(BENZYLAMINO)BUTANOATE is used as an active pharmaceutical ingredient for its potential therapeutic properties, contributing to the development of new medications.
Used in Perfumery:
ETHYL3-(BENZYLAMINO)BUTANOATE is used as a fragrance ingredient for its pleasant fruity and floral scent, enhancing the olfactory profile of various perfumes.
Used in Flavoring Industry:
ETHYL3-(BENZYLAMINO)BUTANOATE is used as a flavoring agent to impart a desirable taste and aroma to food and beverage products, adding depth and complexity to their flavor profiles.
Used in Organic Synthesis:
ETHYL3-(BENZYLAMINO)BUTANOATE is used as a precursor in organic synthesis, facilitating the creation of a range of other organic compounds for various applications.
Used in Building Blocks for Organic Compounds:
ETHYL3-(BENZYLAMINO)BUTANOATE serves as a building block in the preparation of other organic compounds, playing a crucial role in the synthesis of complex molecules for diverse industries.
It is important to handle ETHYL3-(BENZYLAMINO)BUTANOATE with care and follow proper safety protocols to minimize any potential hazards associated with its use.

Check Digit Verification of cas no

The CAS Registry Mumber 6335-80-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,3,3 and 5 respectively; the second part has 2 digits, 8 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 6335-80:
(6*6)+(5*3)+(4*3)+(3*5)+(2*8)+(1*0)=94
94 % 10 = 4
So 6335-80-4 is a valid CAS Registry Number.
InChI:InChI=1/C13H19NO2/c1-3-16-13(15)9-11(2)14-10-12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3

6335-80-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 3-(benzylamino)butanoate

1.2 Other means of identification

Product number -
Other names ethyl 3-(benzylamino)butyrate

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:6335-80-4 SDS

6335-80-4Relevant academic research and scientific papers

Development of a continuously operating process for the enantioselective synthesis of a b-amino acid ester via a solvent-free chemoenzymatic reaction sequence

Strompen, Simon,Weiss, Markus,Groeger, Harald,Hilterhaus, Lutz,Liese, Andreas

, p. 2391 - 2399 (2013)

A sequential, chemoenzymatic process for a continuously operating production of the chiral β-amino acid ester ethyl (S)-3-(benzylamino)- butanoate was developed. The reactor set-up combined a plug-flow reactor for the thermal aza-Michael addition of benzy

Catalytic High Pressure Synthesis of Hindered β-Aminoesters

Jenner, Gerard

, p. 233 - 236 (1995)

Hindered β-aminoesters are obtained in fair to high yields by the conjugate addition of amines to α,β-unsaturated esters, both substrates harbouring bulky groups, under high pressure in the presence of catalytic amounts of ytterbium triflate.

KRAS G12C Mutant protein inhibitors

-

Paragraph 0180-0185, (2021/11/26)

The invention discloses compounds which irreversibly inhibit KRAS G12C mutation. A pharmaceutically acceptable salt and of the compound contains the compound or a salt thereof, and the invention also discloses an application of the compound or a salt and of the compound in the treatment KRAS G12C of a proliferative disease such as a sudden tumor.

Evaluation of β-Aminocarboxylic Acid Derivatives in Hippocampal Excitatory Synaptic Transmission

Oliveira, Daniela R.,Luchez, Cibele V.,Bortolotto, Zuner A.,Fernandes, Jo?o P. S.

, (2017/11/10)

β-Aminocarboxylic acid derivatives (LINS04 series) were screened with the aim to explore their potential functional role in excitatory synaptic transmission in the central nervous system. We used field recordings in rat hippocampal slices to investigate the effects of the LINS04 series on the synaptic transmission at hippocampal CA1 synapses. We found that LINS04008 and LINS04009 increase the size of the evoked field excitatory postsynaptic potential (EPSP) in a dose-dependent manner. The concentration–response curve shows that the efficacy of LINS04008 is highest in the series (EC50 = 91.32 μM; maximum fEPSP 44.97%). The esters LINS04006 and LINS04005 did not affect the synaptic evoked activity. These data provide the first evidence of synaptic activity enhancement by these compounds and the importance of the acidic group to the activity. This set of data may provide direction for a strategic procedure to restore the glutamate synaptic transmission; however, further studies are needed to establish a more complete picture of how these molecules act on the glutamate transmission, which are in our mind for the next steps.

A piperidine compound and method for preparing the same

-

Paragraph 0029; 0031; 0040; 0049; 0059, (2018/02/04)

The invention relates to a piperidine compound and a preparation method thereof. The compound is 2-methyl-4-N-tert-butyloxycarboryl piperidine. The preparation method comprises the following steps of (1) adding a compound (1) ethyl crotonate and benzylami

Stereodefined homopropargyl amines by tandem nucleophilic addition/fragmentation of dihydropyridone triflates

Tummatorn, Jumreang,Dudley, Gregory B.

supporting information; experimental part, p. 158 - 160 (2011/03/20)

Dihydropyridone (DHPD) triflates undergo nucleophile-triggered fragmentation to provide homopropargyl amine derivatives, the stereochemistry of which is defined by starting from readily available β-amino esters.

3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES

-

Page/Page column 30, (2010/11/03)

A compound represented by the formula (I) or a pharmaceutically acceptable salt thereof: wherein Z represents nitrogen atom, C-F or the like; R1 represents a C1-C3 alkyl group; Y represents oxygen atom or N-R7; R2, R3, R4, R5, R6 and R7 each independently represents hydrogen atom, a C1-C6 alkyl group, or a group represented by the formula (II): which is used for preventive and/or therapeutic treatment of a disease caused by tau protein kinase 1 hyperactivity such as a neurodegenerative diseases (e.g. Alzheimer disease).

Towards a greener synthesis of (S)-3-aminobutanoic acid: Process development and environmental assessment

Weiss, Markus,Brinkmann, Tobias,Groeger, Harald

supporting information; experimental part, p. 1580 - 1588 (2010/12/19)

An improved, greener process for the enantioselective chemoenzymatic synthesis of (S)-3-aminobutanoic acid has been developed. Reaction steps comprise an initial aza-Michael addition starting from cheap prochiral compounds, subsequent enzymatic resolution via aminolysis using commercially available Candida antarctica lipase B in a solvent-free one-pot process, hydrolysis of the resulting ester and removal of the N-benzyl moiety via hydrogenation. After isolation, the desired (S)-3-aminobutanoic acid was obtained in an overall yield of 28% and with an excellent enantiomeric excess of 99% ee. Notably, this reaction sequence does not require column chromatography with organic solvents and only one purification step of an intermediate is needed. The environmental impact of this optimized process has been evaluated and an E-factor of 41 has been calculated for the overall process. A comparative assessment with the previous process was done via mass balancing using the E-factor, the selectivity index S-1 as well as an SHE assessment.

Hydrogenation of β-N-substituted enaminoesters in the presence of ruthenium catalysts

Hebbache, Hania,Jerphagnon, Thomas,Hank, Zakia,Bruneau, Christian,Renaud, Jean-Luc

experimental part, p. 870 - 874 (2010/06/16)

β-Aminoesters were prepared in two simple steps from β-ketoesters derivatives and primary amines under mild conditions. Their hydrogenation was performed at 50 °C in the presence of several organometallic catalysts under acidic conditions. The new β-N-substituted aminoesters were isolated in moderate to good yields.

Hydrogenation of β-N-substituted and β-N,N-disubstituted enamino esters in the presence of iridium(I) catalyst

Hebbache, Hania,Hank, Zakia,Bruneau, Christian,Renaud, Jean-Luc

experimental part, p. 2627 - 2633 (2009/12/06)

Several new β-amino esters were prepared in two simple steps from β-keto ester derivatives and primary and secondary amines under mild conditions. The hydrogenation of various enamino esters was performed at 50°C in the presence of iridium catalysts. The new β-N-substituted amino esters were isolated in high yields. Georg Thieme Verlag Stuttgart.

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