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ethyl 6-chloro-6-oxohexanoate is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

1071-71-2

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1071-71-2 Usage

Synthesis Reference(s)

Journal of the American Chemical Society, 70, p. 3626, 1948 DOI: 10.1021/ja01191a026

Check Digit Verification of cas no

The CAS Registry Mumber 1071-71-2 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,0,7 and 1 respectively; the second part has 2 digits, 7 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 1071-71:
(6*1)+(5*0)+(4*7)+(3*1)+(2*7)+(1*1)=52
52 % 10 = 2
So 1071-71-2 is a valid CAS Registry Number.
InChI:InChI=1/C8H13ClO3/c1-2-12-8(11)6-4-3-5-7(9)10/h2-6H2,1H3

1071-71-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 6-chloro-6-oxohexanoate

1.2 Other means of identification

Product number -
Other names HEXANOIC ACID,6-CHLORO-6-OXO-,ETHYL 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:1071-71-2 SDS

1071-71-2Relevant academic research and scientific papers

New TRAP1 and Hsp90 chaperone inhibitors with cationic components: Preliminary studies on mitochondrial targeting

Rondanin,Lettini,Oliva,Baruchello,Costantini,Trapella,Simoni,Bernardi,Sisinni,Pietrafesa,Ponterini,Costi,Vignudelli,Luciani,Matassa,Esposito,Landriscina

, p. 2289 - 2293 (2018)

TRAP1 (Hsp75) is the mitochondrial paralog of the Hsp90 molecular chaperone family. Due to structural similarity among Hsp90 chaperones, a potential strategy to induce apoptosis through mitochondrial TRAP1 ATPase inhibition has been envisaged and a series of compounds has been developed by binding the simple pharmacophoric core of known Hsp90 inhibitors with various appendages bearing a permanent cationic head, or a basic group highly ionizable at physiologic pH. Cationic appendages were selected as vehicles to deliver drugs to mitochondria. Indeed, masses of new derivatives were evidenced to accumulate in the mitochondrial fraction from colon carcinoma cells and a compound in the series, with a guanidine appendage, demonstrated good activity in inhibiting recombinant TRAP1 ATPase and cell growth and in inducing apoptotic cell death in colon carcinoma cells.

An esterase-activated magnetic resonance contrast agent

Giardiello, Marco,Lowe, Mark P.,Botta, Mauro

, p. 4044 - 4046 (2007)

A Gd(III) complex bearing pendant acetoxymethyl esters is activated on exposure to porcine liver esterase; the 84% increase in relaxivity is a result of suppression of HCO3-/CO32- binding by the resulting negative charge. The Royal Society of Chemistry.

Avidin and streptavidin ligands based on the glycoluril bicyclic system

Hidalgo-Fernandez, Pedro,Ayet, Eva,Canal, Ivan,Farrera, Joan-Antoni

, p. 3147 - 3154 (2006)

Glycoluril derivatives with a carboxylic acid side chain have been synthesized and shown to bind to both avidin and streptavidin. Introduction of a valerate side chain in glycoluril led to an increased binding to both proteins only when the valerate group was bound to a N atom and with the proper stereochemistry [(+)-enantiomer]. On the other hand, introduction of the valerate side chain either on the bridgehead carbon or on the N atom with the opposite stereochemistry [(-)-enantiomer] led to a decrease in binding constant compared with unsubstituted glycoluril. Direct spectrophotometric competitive titration of each protein with a racemic ligand allowed measurement of the enantioselectivity of the ligand-protein complexation, together with the binding constant of the two enantiomers. In the case of the N-substituted glycoluril, the extension of the side chain by one methylene group, from valerate to caproate, led to an increase in the binding constant to both proteins. Docking studies using AutoDock 3.05 have been performed in order to predict the binding modes of these ligands to streptavidin. The effect of the stereochemistry and the position of the side chain on the binding constant to streptavidin is discussed in view of the predicted binding modes. The Royal Society of Chemistry 2006.

Catalytic asymmetric reductive acyl cross-coupling: Synthesis of enantioenriched acyclic α,α-disubstituted ketones

Cherney, Alan H.,Kadunce, Nathaniel T.,Reisman, Sarah E.

supporting information, p. 7442 - 7445 (2013/06/27)

The first enantioselective Ni-catalyzed reductive acyl cross-coupling has been developed. Treatment of acid chlorides and racemic secondary benzyl chlorides with a NiII/bis(oxazoline) catalyst in the presence of Mn0 as a stoichiometric reductant generates acyclic α,α-disubstituted ketones in good yields and high enantioselectivity without requiring stoichiometric chiral auxiliaries or pregeneration of organometallic reagents. The mild, base-free reaction conditions are tolerant of a variety of functional groups on both coupling partners.

Palladium-catalyzed allylic alkylation of carboxylic acid derivatives: N-acyloxazolinones as ester enolate equivalents

Trost, Barry M.,Michaelis, David J.,Charpentier, Julie,Xu, Jiayi

supporting information; experimental part, p. 204 - 208 (2012/02/16)

Triple A: A general asymmetric allylic alkylation of ester enolate equivalents at the carboxylic acid oxidation state is reported. N-Acylbenzoxazolinone-derived enol carbonates were synthesized and employed in the palladium-catalyzed alkylation reaction. The imide products were readily converted into a series of carboxylic acid derivatives without loss of enantiopurity.

Synthesis and anti-cancer activity of C-ring-functionalized prodigiosin analogues

Regourd, Jasmine,Ali, Adeeb Al-Sheikh,Thompson, Alison

, p. 1528 - 1536 (2008/02/02)

Prodigiosin is the parent member of the 4-methoxypyrrolyldipyrromethene family of natural products and is known for its anti-cancer activity. A new series of analogues was synthesized, incorporating pendent functional esters and β-carbonyl substituents on the C-ring. The β-carbonyl group allowed for the facile isolation of the prodigiosenes, and the pendent esters allow for further derivatization. The novel prodigiosenes generally retain the anti-cancer activity of prodigiosin in 60 human cell lines derived from nine cancer cell types, with neither the conjugated /3-carbonyl group, as either ketone or ester, nor the pendent ester significantly reducing the anti-cancer activity of the core skeleton.

Synthesis of novel phytosphingosine derivatives and their preliminary biological evaluation for enhancing radiation therapy

Moon, Byung Seok,Park, Moon-Taek,Park, Jeong Hoon,Kim, Sang Wook,Lee, Kyo Chul,An, Gwang Il,Yang, Seung Dae,Chi, Dae Yoon,Cheon, Gi Jeong,Lee, Su-Jae

, p. 6643 - 6646 (2008/09/17)

Eight d-ribo-phytosphingosine derivatives were synthesized from d-ribo-phytosphingosine and diverse acyl chlorides with N,N-diisopropylethylamine in tetrahydrofuran for 1 h at room temperature. Effect of these compounds on IR-induced cell death was evaluated on blood cancer cells (Jurkat). Among these, 3d showed the highest enhancement of radiosensitizing effect.

Reactivity of N-alkanoyloxy-2,2,6,6-tetramethylpiperidines (O-acylTEMPOs) towards hydride-transferring or metallic alkylating reagents; unprecedented stability and application to chemoselective transformations

Inokuchi, Tsutomu,Kawafuchi, Hiroyuki,Nokami, Junzo

, p. 537 - 539 (2008/09/18)

Owing to the unprecedented stability of O-acylTEMPOs towards hydride-transferring and metallic alkylating reagents such as LiAlH4 and RMgX, chemoselective transformation of diacid mixed alkyl/TEMP-1-yl esters, where O-acylTEMPOs remained intact, is achieved with these reagents, giving the corresponding carbinols, respectively.

Preparation of carboxythiolactones and their active derivatives

Garbiras, Bonnie J.,Marburg, Stephen

, p. 270 - 274 (2007/10/03)

The design of peptidyl immunogens requires that a number of elements be covalently linked to enable the appropriate immune response to occur. Two of these elements are: (a) T-cell sequences which after processing, bind to major histocompatibility complex (MHC) molecules and T-cell receptors and (b) B-cell sequences which embody the constellation of atoms which will ultimately be recognized by the desired antibody. Our concept, designed to effectuate this, involved a single molecule which could conjugate three peptides, potentially in discrete steps, in one pot. Activated carboxythiolactones, hitherto unknown entities, provide such a system: two acyl sites susceptible to nucleophilic attack at disparate rates and a liberated thiol susceptible to electrophilic alkylation. Such a set of thiolactones and their derivatives have been synthesized from inexpensive starting materials and their reactivities are under investigation. If successful, the system will not only obviate the difficult syntheses of longer linear peptides, but will also allow a rapid structural permutation of the various elements.

A facile synthesis of 2-substituted isoflavones for immunoassay: Assembly of the isoflavonoid skeleton by means of a novel cyclisation reaction

Pelter, Andrew,Ward, Robert S.,Whalley, Jacqueline L.

, p. 1793 - 1802 (2007/10/03)

For the purpose of the development of immunoassays for wide-scale screening, isoflavones suitable for attachment to a hapten were prepared. A new cyclisation reaction allowed the direct conversion of 2- (acyloxy)deoxybenzoins to 2-alkylisoflavones by treatment with chlorotrimethylsilane and triethylamine in dimethylformamide.

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