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4-Nitrobenzoic acid phenacyl ester is an organic compound with the chemical formula C15H11NO5. It is a derivative of 4-nitrobenzoic acid, where the carboxylic acid group is esterified with phenacyl bromide, resulting in an ester linkage. This yellow crystalline solid is soluble in organic solvents and is commonly used as a chemical intermediate in the synthesis of various pharmaceuticals and agrochemicals. Its molecular structure features a nitro group attached to a benzene ring, with a phenacyl ester group connected to the carboxylic acid functionality. The compound is known for its reactivity and can undergo further chemical transformations, making it a valuable building block in organic chemistry.

7254-22-0

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7254-22-0 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 7254-22-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 7,2,5 and 4 respectively; the second part has 2 digits, 2 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 7254-22:
(6*7)+(5*2)+(4*5)+(3*4)+(2*2)+(1*2)=90
90 % 10 = 0
So 7254-22-0 is a valid CAS Registry Number.
InChI:InChI=1/C15H11NO5/c17-14(11-4-2-1-3-5-11)10-21-15(18)12-6-8-13(9-7-12)16(19)20/h1-9H,10H2

7254-22-0SDS

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 phenacyl 4-nitrobenzoate

1.2 Other means of identification

Product number -
Other names 4-Nitro-benzoesaeure-phenacylester

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:7254-22-0 SDS

7254-22-0Relevant academic research and scientific papers

ONE STEP PROCESS FOR REGIOSELECTIVE SYNTHESIS OF α-ACYLOXY CARBONYLS

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Page/Page column 6; 7; 8; 9, (2015/01/06)

A regioselective N-Heterocyclic Carbene (NHC) catalyzed one step process for high yield synthesis of α-acyloxy carbonyl compounds is disclosed.

N-Heterocyclic carbene catalyzed regioselective oxo-acyloxylation of alkenes with aromatic aldehydes: A high yield synthesis of α-acyloxy ketones and esters

Reddi, Rambabu N.,Malekar, Pushpa V.,Sudalai, Arumugam

supporting information, p. 6477 - 6482 (2013/09/24)

An N-heterocyclic carbene (NHC)-catalyzed reaction of alkenes with aromatic aldehydes providing for a high yield synthesis of α-acyloxy ketones and esters has been described. This unprecedented regioselective oxidative process employs NBS and Et3N in stoichiometric amounts and O2 (1 atm) as an oxidant under ambient conditions in DMSO as a solvent.

α-Aroyloxyaldehydes: Scope and limitations as alternatives to α-haloaldehydes for NHC-catalysed redox transformations

Ling, Kenneth B.,Smith, Andrew D.

supporting information; experimental part, p. 373 - 375 (2011/02/24)

α-Aroyloxyaldehydes are readily prepared bench stable synthetic intermediates. Their ability to act as α-haloaldehyde surrogates for NHC-promoted redox esterifications and in [4+2] cycloadditions is described.

One-pot synthesis of phenacyl esters from acetophenone, [Bmim]Br 3, and potassium salts of carboxylic acids under solvent-free conditions

Le, Zhang-Gao,Xie, Zong-Bo,Xu, Jian-Ping

experimental part, p. 743 - 747 (2009/06/28)

One-pot synthesis of phenacyl esters from acetophenone, [Bmim]Br3, and potassium salts of carboxylic acids under solvent-free conditions gave the corresponding phenacyl esters with excellent yields. Copyright Taylor & Francis Group, LLC.

Effect of binary aqueous-organic solvents on the reaction of phenacyl bromide with nitrobenzoic acid(s) in the presence of triethylamine

Nallu,Subramanian,Vembu,Hussain, A. Akber

, p. 401 - 409 (2007/10/03)

Second-order rate constants (k2) of the reaction between phenacyl bromide and equimolar mixture of nitrobenzoic acid(s)-triethylamine have been determined in dimethyl-formamide (DMF)/acetonitrile (ACN)/acetone and aqueous mixtures of these solv

Organic Reactions in Ionic Liquids: Ionic Liquid-Accelerated Nucleophilic Substitution Reaction of α-Tosyloxyketones with Potassium Salts of Aromatic Acids

Liu, Zhi,Chen, Zhen-Chu,Zheng, Qin-Guo

, p. 33 - 36 (2007/10/03)

The room temperature ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate ([bmim][BF4]) is used as a 'green' recyclable alternative to classical molecular solvents for the nucleophilic substitution reaction of α-tosyloxy ketones with pota

Convenient syntheses of 2-alkyl(Aryl)-4,5-diphenyloxazoles and 2-alkyl(Aryl)-4-phepyloxazoles

Pei, Weiwei,Li, Shaohui,Nie, Xiaoping,Li, Yiwei,Pei, Jian,Chen, Bingzi,Wu, Jie,Ye, Xiulin

, p. 1298 - 1304 (2007/10/03)

The synthetic methods to prepare 2-alkyl(aryl)-4,5-diphenyloxazoles and 2-alkyl(aryl)-4-phenyloxazoles were improved on the basis of a mechanistic study of oxazole formation from α-hydroxy ketones (carboxylic esters of benzoin and phenacyl alcohols). By these methods, seven trisubstituted oxazoles and twelve disubstituted oxazoles of the title compounds were prepared.

Synthesis of esters from acyl chlorides and halide under solid-liquid phase transfer catalysis

Hu,Pa,Cui,Wang

, p. 2763 - 2767 (2007/10/02)

A new and general method for the synthesis of esters is reported. Acyl chloride reacts with halide in the presence of hydrogen carbonate and under solid-liquid phase transfer condition to afford the esters in good to excellent isolated yields. The effects of catalyst, sodium and solvents to the reactions have been investigated. The reaction mechanism is briefly discussed.

KINETICS OF REACTION OF TRIETHYLAMMONIUM CARBOXYLATES WITH α-HALOGENOCARBONYL COMPOUNDS IN ORGANIC SOLVENTS. REACTION OF BENZOATES AND PHENOXYACETATES WITH PHENACYL BROMIDE IN ACETONE

Pillay, M. Krishna,Kannan, K.,Ramasubramanian, P.

, p. 3899 - 3908 (2007/10/02)

The kinetics of the reaction of phenacyl bromide with triethylammonium p-substituted benzoates and phenoxyacetates at 25 deg C, 30 deg C and 35 deg C in acetone suggest a rigid cyclic transition state involving a hydrogen bonded ion-pair as the active nuc

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