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2-NITRO-BENZOIC ACID TERT-BUTYL ESTER, also known as 2-nitro-tert-butyl benzoate, is a chemical compound characterized by the molecular formula C12H13NO4. It is a pale yellow solid with a sweet, floral scent, and is widely utilized in the production of pharmaceuticals and fragrances. 2-NITRO-BENZOIC ACID TERT-BUTYL ESTER is synthesized through the esterification of 2-nitrobenzoic acid with tert-butanol, and it exhibits high solubility in organic solvents such as ethanol and acetone. However, it is also recognized for its potential hazards, including being harmful if ingested, causing skin and eye irritation, and posing a risk to aquatic life.

55666-41-6

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55666-41-6 Usage

Uses

Used in Pharmaceutical Industry:
2-NITRO-BENZOIC ACID TERT-BUTYL ESTER is used as an intermediate in the synthesis of various pharmaceutical compounds due to its chemical properties and reactivity. Its ability to participate in esterification and other chemical reactions makes it a valuable component in the development of new drugs.
Used in Fragrance Industry:
2-NITRO-BENZOIC ACID TERT-BUTYL ESTER is used as a fragrance ingredient for its sweet, floral odor. It contributes to the creation of complex scent profiles in perfumes, colognes, and other fragranced products, enhancing the sensory experience of consumers.
Used in Organic Synthesis:
2-NITRO-BENZOIC ACID TERT-BUTYL ESTER is used as a reagent in organic synthesis for the preparation of various organic compounds. Its high solubility in organic solvents facilitates its use in a range of chemical reactions, making it a versatile component in the synthesis of specialty chemicals and materials.

Check Digit Verification of cas no

The CAS Registry Mumber 55666-41-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,5,6,6 and 6 respectively; the second part has 2 digits, 4 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 55666-41:
(7*5)+(6*5)+(5*6)+(4*6)+(3*6)+(2*4)+(1*1)=146
146 % 10 = 6
So 55666-41-6 is a valid CAS Registry Number.

55666-41-6SDS

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 2-nitrobenzoate

1.2 Other means of identification

Product number -
Other names AB1297

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:55666-41-6 SDS

55666-41-6Relevant academic research and scientific papers

TELOMERASE REVERSE TRANSCRIPTASE DEGRADERS AND METHODS OF USE THEREOF

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Paragraph 00127; 00128, (2020/12/30)

The present disclosure provides TERT inhibitor compounds, a TERT inhibitor linked to a ubiquitin ligase ligand, as well as pharmaceutical compositions thereof. The present disclosure also provides methods of inhibiting telomerase reverse transcriptase (TERT) and methods of treating or preventing a disease or disorder using said compounds and/or compositions.

Regioselective sulfonylation and N- to O-sulfonyl migration of quinazolin-4(3H)-ones and analogous thienopyrimidin-4(3H)-ones

Mertens, Matthias D.,Pietsch, Markus,Schnakenburg, Gregor,Guetschow, Michael

, p. 8966 - 8979 (2013/10/08)

The sulfonylation of quinazolin-4(3H)-ones and related tetrahydrobenzothieno[2,3-d]pyrimidin-4(3H)-ones with mesyl, tosyl, and p-cyanobenzenesulfonyl chloride was studied. A hydrogen substituent at 2-position directed the sulfonyl group to the N-3 position, while alkylsulfanyl or amino substituents led to sulfonylation of the carbonyl oxygen. The latter effect was attributed to steric influence and the positive mesomeric effect of the 2-substituent. An access to N-sulfonylated 2-substituted regioisomers was established. An unexpected 1,3-sulfonyl migration was observed and further analyzed. This process occurred as an intramolecular N- to O-shift as verified by kinetic and crossover experiments.

A FRET-based probe with a chemically deactivatable quencher

Leriche, Geoffray,Budin, Ghyslain,Darwich, Zeinab,Weltin, Denis,Mely, Yves,Klymchenko, Andrey S.,Wagner, Alain

supporting information; scheme or table, p. 3224 - 3226 (2012/05/20)

A new concept of a chemically deactivatable quencher is proposed for a FRET-based probe that turns-on its fluorescence by either an enzymatic cleavage or a chemical reagent (sodium dithionite). This concept allowed us to quantify the caspase-3 cleavage activity in solution and to reveal unreacted probes in cell experiments. The Royal Society of Chemistry 2012.

Novel approach to synthesis of substituted 3-aminoquinolines from nitroarenes and protected ethyl aminocrotonate

Bujok, Robert,Kwast, Andrzej,Cmoch, Piotr,Wróbel, Zbigniew

experimental part, p. 698 - 708 (2010/09/05)

The addition of mono- and dianions of ethyl N-pivaloyl-3-aminocrotonate to substituted nitroarenes, followed by action of silylating or acylating agent, leads to 3-aminoquinoline carboxylic acid derivatives. Hydrolysis and decarboxylation of the latter, carried out efficiently under relatively mild conditions, afford 3-aminoquinolines diversely substituted in the benzo-fused ring.

Efficient palladium-catalysed carbonylative and Suzuki-Miyaura cross-coupling reactions with bis(di-tert-butylphosphino)-o-xylene

McNulty, James,Nair, Jerald J.,Sliwinski, Marcin,Robertson, Al J.

scheme or table, p. 2342 - 2346 (2009/08/17)

The use of the ligand bis(di-tert-butylphosphino)-o-xylene (dtbpx) in palladium-catalysed carbonylative and Suzuki-Miyaura cross-coupling reactions is described. Aryl and vinyl halides readily entered into the carbonylative catalytic cycle affording carboxylic acids, amides as well as primary, secondary and tertiary esters, respectively, in good yields. Aryl iodides, bromides and chlorides gave high yields of biphenyl products upon reaction with both activated and unactivated boronic acids.

A synthesis of sulfonamide analogs of platensimycin employing a palladium-mediated carbonylation strategy

McNulty, James,Nair, Jerald J.,Capretta, Alfredo

scheme or table, p. 4087 - 4091 (2009/12/01)

The monodentate ligand 1,3,5,7-tetramethyl-2,4,8-trioxa-6-phenyl-6-phospha-adamantane (PA-Ph) is shown to be highly effective in palladium-catalyzed carbonylative cross-coupling. Aryl and vinyl halides were efficiently converted to carboxylic acids, amides and to primary, secondary, and tertiary esters, respectively. Application of the Pd(OAc)2/PA-Ph (1:1) catalyst system proved critical in the methoxycarbonylation of a functionalized nitroresorcinol halide, allowing convenient access to novel platensimycin sulfonamide analogs.

Rational design of substituted diarylureas: A scaffold for binding to G-quadruplex motifs

Drewe, William C.,Nanjunda, Rupesh,Gunaratnam, Mekala,Beltran, Monica,Parkinson, Gary N.,Reszka, Anthony P.,Wilson, W. David,Neidle, Stephen

supporting information; experimental part, p. 7751 - 7767 (2009/12/07)

The design and synthesis of a series of urea-based nonpolycyclic aromatic ligands with alkylaminoanilino side chains as telomeric and genomic G-quadruplex DNA interacting agents are described. Their interactions with quadruplexes have been examined by means of fluorescent resonance energy transfer melting, circular dichroism, and surface plasmon resonance-based assays. These validate the design concept for such urea-based ligands and also show that they have significant selectivity over duplex DNA, as well as for particular G-quadruplexes. The ligand-quadruplex complexes were investigated by computational molecular modeling, providing further information on structure-activity relationships. Preliminary biological studies using short-term cell growth inhibition assays show that some of the ligands have cancer cell selectivity, although they appear to have low potency for intracellular telomeric G-quadruplex structures, suggesting that their cellular targets may be other, possibly oncogene-related quadruplexes.

UREYLENE DERIVATIVES

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Page/Page column 52-53, (2008/12/04)

The invention concerns compounds of Formula (I) or a salt, solvate or pro-drug thereof. The compounds may be used in therapy, particularly anti-cancer therapy.

Efficient carbonylation reactions in phosphonium salt ionic liquids: Anionic effects

McNulty, James,Nair, Jerald J.,Robertson, Al

, p. 4575 - 4578 (2008/03/12)

(Formula Presented) Application of phosphonium salt ionic liquids in the carbonylation of aryl and vinyl halides is presented. Anionic effects were uncovered with the bromide ionic liquid emerging as the superior media. Acid bromide intermediates were detected in control experiments providing an extended view on the overall catalytic cycle involved. Solvent-free product isolation and recycling of the ionic liquid containing active Pd-catalyst are also demonstrated.

Selective urokinase-type plasminogen activator inhibitors. 4. 1-(7-Sulfonamidoisoquinolinyl)guanidines

Fish, Paul V.,Barber, Christopher G.,Brown, David G.,Butt, Richard,Collis, Michael G.,Dickinson, Roger P.,Henry, Brian T.,Horne, Valerie A.,Huggins, John P.,King, Elizabeth,O'Gara, Margaret,McCleverty, Dawn,McIntosh, Fraser,Phillips, Christopher,Webster, Robert

, p. 2341 - 2351 (2008/02/03)

1-Isoquinolinylguanidines were previously disclosed as potent and selective inhibitors of urokinase-type plasminogen activator (uPA). Further investigation of this template has revealed that incorporation of a 7-sulfonamide group furnishes a new series of potent and highly selective uPA inhibitors. Potency and selectivity can be achieved with sulfonamides derived from a variety of amines and is further enhanced by the incorporation of sulfonamides derived from amino acids. The binding mode of these 1-isoquinolinylguanidines has been investigated by X-ray cocrystallization studies. uPA inhibitor 26 was selected for further evaluation based on its excellent enzyme potency (Ki 10 nM) and selectivity profile (4000-fold versus tPA and 2700-fold versus plasmin). In vitro, compound 26 is able to inhibit exogenous uPA in human chronic wound fluid (IC50 = 0.89 μM). In vivo, in a porcine acute excisional wound model, following topical delivery, compound 26 is able to penetrate into pig wounds and inhibit exogenous uPA activity with no adverse effect on wound healing parameters. On the basis of this profile, compound 26 (UK-371,804) was selected as a candidate for further preclinical evaluation for the treatment of chronic dermal ulcers.

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