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TERT BUTYL 4-OXOBUTANOATE, also known as tert-butyl acetylacetate, is a colorless liquid chemical compound with the molecular formula C8H14O3. It is characterized by a fruity odor and is known for its low toxicity and high purity, making it a popular choice for various applications across different industries.

51534-77-1

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51534-77-1 Usage

Uses

Used in Flavoring and Fragrance Industry:
TERT BUTYL 4-OXOBUTANOATE is used as a flavoring agent and fragrance in the food and cosmetic industries for its fruity odor, enhancing the sensory experience of products.
Used in Pharmaceutical Production:
TERT BUTYL 4-OXOBUTANOATE is used as an intermediate in the production of pharmaceuticals, contributing to the synthesis of various medicinal compounds.
Used in Agrochemical Production:
TERT BUTYL 4-OXOBUTANOATE is used as a component in the production of agrochemicals, aiding in the development of agricultural products to improve crop yield and protection.
Used as a Solvent in Chemical Reactions:
TERT BUTYL 4-OXOBUTANOATE is used as a solvent in various chemical reactions, facilitating the process and improving the efficiency of synthesis due to its chemical properties.

Check Digit Verification of cas no

The CAS Registry Mumber 51534-77-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,1,5,3 and 4 respectively; the second part has 2 digits, 7 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 51534-77:
(7*5)+(6*1)+(5*5)+(4*3)+(3*4)+(2*7)+(1*7)=111
111 % 10 = 1
So 51534-77-1 is a valid CAS Registry Number.

51534-77-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-butyl 4-oxobutanoate

1.2 Other means of identification

Product number -
Other names 4-Oxo-butyric acid tert-butyl ester

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:51534-77-1 SDS

51534-77-1Relevant academic research and scientific papers

Synthesis of constrained cycloalkyl analogues of glutamic acid with an ω-phosphonic acid function

Bessières, Bernard,Schoenfelder, Angèle,Verrat, Céline,Mann, André,Ornstein, Paul,Pedregal, Conception

, p. 7659 - 7662 (2002)

A general method based on the sequential reactivities of bis-bromocycloalkenes (3-5) is proposed for the preparation of phosphonocycloalkanes (1a/b-3a/b), representing structural constrained analogues of AP4. For the synthesis of an additional congested A

SUBSTITUTED OXOPYRIDINE DERIVATIVES

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Page/Page column 58-59, (2020/07/14)

The invention relates to substituted oxopyridine derivatives and to processes for their preparation, and also to their use for preparing medicaments for the treatment and/or prophylaxis of diseases, in particular vascular disorders, preferably thrombotic

SUBSTITUTED OXOPYRIDINE DERIVATIVES

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Page/Page column 54, (2020/07/14)

The invention relates to substituted oxopyridine derivatives and to processes for their preparation, and also to their use for preparing medicaments for the treatment and/or prophylaxis of diseases, in particular vascular disorders, preferably thrombotic

AN IMPROVED HEROIN VACCINE

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Page/Page column 23; 24; 28, (2019/05/30)

An improved heroin conjugate vaccine is detailed; to accomplish this task the systematic exploration of twenty vaccine formulations with varying combinations of carrier proteins and adjuvants were undertaken. In regard to adjuvants, a Toll-like receptor 9 (TLR9) agonist and a TLR3 agonist in the presence of alum were explored. The vaccine formulations containing TLR3 or TLR9 agonist alone-elicited strong anti-heroin antibody titers and blockade of heroin-induced antinociception when formulated with alum; however, a combination of TLR3 and 9 adjuvants did not result in improved efficacy. Investigation of stability of the two lead formulations revealed that the TLR9 but not the TLR3 formulation was stable when stored over 30 days. Furthermore, mice immunized with the TLR9 + alum heroin vaccine gained significant protection from lethal heroin doses, suggesting that this vaccine formulation is suitable for mitigating the lethal effects of heroin, even following long-term storage at room temperature.

Bisubstrate inhibitors of nicotinamide N-methyltransferase (NNMT) with enhanced activity

Gao, Yongzhi,Van Haren, Matthijs J.,Moret, Ed E.,Rood, Johannes J. M.,Sartini, Davide,Salvucci, Alessia,Emanuelli, Monica,Craveur, Pierrick,Babault, Nicolas,Jin, Jian,Martin, Nathaniel I.

, p. 6597 - 6614 (2019/08/20)

Nicotinamide N-methyltransferase (NNMT) catalyzes the methylation of nicotinamide to form N-methylnicotinamide. Overexpression of NNMT is associated with a variety of diseases, including a number of cancers and metabolic disorders, suggesting a role for NNMT as a potential therapeutic target. By structural modification of a lead NNMT inhibitor previously developed in our group, we prepared a diverse library of inhibitors to probe the different regions of the enzyme's active site. This investigation revealed that incorporation of a naphthalene moiety, intended to bind the hydrophobic nicotinamide binding pocket via π-πstacking interactions, significantly increases the activity of bisubstrate-like NNMT inhibitors (half-maximal inhibitory concentration 1.41 μM). These findings are further supported by isothermal titration calorimetry binding assays as well as modeling studies. The most active NNMT inhibitor identified in the present study demonstrated a dose-dependent inhibitory effect on the cell proliferation of the HSC-2 human oral cancer cell line.

Asymmetric synthesis of propargylamines as amino acid surrogates in peptidomimetics

Wünsch, Matthias,Schr?der, David,Fr?hr, Tanja,Teichmann, Lisa,Hedwig, Sebastian,Janson, Nils,Belu, Clara,Simon, Jasmin,Heidemeyer, Shari,Holtkamp, Philipp,Rudlof, Jens,Klemme, Lennard,Hinzmann, Alessa,Neumann, Beate,Stammler, Hans-Georg,Sewald, Norbert

supporting information, p. 2428 - 2441 (2017/12/06)

The amide moiety of peptides can be replaced for example by a triazole moiety, which is considered to be bioisosteric. Therefore, the carbonyl moiety of an amino acid has to be replaced by an alkyne in order to provide a precursor of such peptidomimetics. As most amino acids have a chiral center at Cα, such amide bond surrogates need a chiral moiety. Here the asymmetric synthesis of a set of 24 N-sulfinyl propargylamines is presented. The condensation of various aldehydes with Ellman's chiral sulfinamide provides chiral N-sulfinylimines, which were reacted with (trimethylsilyl)ethynyllithium to afford diastereomerically pure N-sulfinyl propargylamines. Diverse functional groups present in the propargylic position resemble the side chain present at the Cα of amino acids. Whereas propargylamines with (cyclo)alkyl substituents can be prepared in a direct manner, residues with polar functional groups require suitable protective groups. The presence of particular functional groups in the side chain in some cases leads to remarkable side reactions of the alkyne moiety. Thus, electron-withdrawing substituents in the Cα-position facilitate a base induced rearrangement to α,β-unsaturated imines, while azide-substituted propargylamines form triazoles under surprisingly mild conditions. A panel of propargylamines bearing fluoro or chloro substituents, polar functional groups, or basic and acidic functional groups is accessible for the use as precursors of peptidomimetics.

Selective hydroformylation of alkyl acrylates using [2,2′-bis(dipyrrolylphosphinooxy)-1,1′-(±)-binaphthyl]/Rh catalyst: reversal of regioselectivity

Shu, Xiao,Liang, Haoran,Wu, Qianhui,Zhou, Fanding,Zheng, Xueli,Fu, Haiyan,Xu, Bin,Li, Ruixiang,Zhang, Chunchun,Chen, Hua

, p. 14816 - 14823 (2017/03/16)

The rhodium-catalyzed hydroformylation of alkyl acrylates with different P-N diphosphine ligands is investigated here. Under mild conditions (syngas pressure: 2 MPa, 20 °C), 2,2′-bis(dipyrrolylphosphinooxy)-1,1′-(±)-binaphthyl (L1) rhodium catalyst could give good conversion of ethyl acrylate (82.9%) in 12 h and exclusive branched aldehyde selectivity of >99.0%. More importantly, on elevating the temperature to 90 °C, this Rh system could preferentially afford the linear aldehyde with 96.1% regioselectivity, and the TOF could reach up to 9000 h?1. Deuterioformylation was conducted to explore the mechanism of regioselectivity reversal, and the results established that the reversible rhodium hydride addition to form the Rh-alkyl species might play a vital role in this reversal. The β-hydride elimination of branched Rh-alkyl species was comparatively stronger than that of linear ones under increased temperature, probably because L1 could cause comparatively larger steric repulsion in branched Rh-alkyl species under high temperature, due to its bulky and rigid binaphthyl backbone characteristics. In turn, the linear Rh-alkyl species progress to linear aldehyde was facilitated.

TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF

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Paragraph 3276; 3277; 3421; 3437, (2016/06/06)

A compound represented by Formula [I]: or pharmaceutically acceptable salt thereof, wherein each symbol is as defined in the description.

LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS

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Page/Page column 184-185, (2015/07/07)

This invention provides for a compound of formula (I) or a pharmaceutically acceptable salt thereof, wherein R1-R3, n, p, L1 and L2 are defined herein. The compounds of formula (I) and pharmaceutically acceptable salts thereof are cationic lipids useful in the delivery of biologically active agents to cells and tissues.

Modular solid-phase synthesis of teroxazoles as a class of α-helix mimetics

Pinto Gomes, Cristiano,Metz, Alexander,Bats, Jan W.,Gohlke, Holger,Goebel, Michael W.

supporting information; experimental part, p. 3270 - 3277 (2012/07/02)

α-Helices are ubiquitous structural elements of proteins and are important in molecular recognition. Small molecules mimicking α-helices have proven to be valuable biophysical probes or modulators of protein-protein interactions. Here, we present modeling studies and the modular solid-phase synthesis of teroxazole derivatives as a new class of α-helix mimetics. The synthesis is compatible with a variety of functional groups and should thus be generally applicable for generating diversely substituted oligo-oxazole scaffolds. The teroxazole scaffold is predicted to be polar and to project peptidomimetic side chains at positions i, i+3, and i+6 of an α-helix, which complements projection patterns of existing helix mimetics. The scaffold retains sufficient conformational flexibility to conform to induced-fit models of protein-protein interaction inhibition. Copyright

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