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5461-32-5

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5461-32-5 Usage

General Description

2-Nitrophenylpyruvic acid is a chemical compound with the molecular formula C9H7NO5. It is a yellow solid that is soluble in organic solvents but insoluble in water. 2-Nitrophenylpyruvic acid is mainly used as a reagent in the synthesis of other organic compounds. It is also used in biochemical research as a substrate for certain enzymes, particularly those involved in the metabolism of amino acids. 2-Nitrophenylpyruvic acid is classified as a nitrophenylpyruvic acid and is related to the amino acid phenylalanine. It is important to handle 2-nitrophenylpyruvic acid with caution as it is considered hazardous and toxic if ingested, inhaled, or absorbed through the skin.

Check Digit Verification of cas no

The CAS Registry Mumber 5461-32-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,4,6 and 1 respectively; the second part has 2 digits, 3 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 5461-32:
(6*5)+(5*4)+(4*6)+(3*1)+(2*3)+(1*2)=85
85 % 10 = 5
So 5461-32-5 is a valid CAS Registry Number.
InChI:InChI=1/C9H7NO5/c11-8(9(12)13)5-6-3-1-2-4-7(6)10(14)15/h1-4H,5H2,(H,12,13)

5461-32-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Nitrophenylpyruvic Acid

1.2 Other means of identification

Product number -
Other names Benzenepropanoic acid, 2-nitro-α-oxo-

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:5461-32-5 SDS

5461-32-5Relevant articles and documents

Keto/enol tautomerism in phenylpyruvic acids: Structure of the o- nitrophenylpyruvic acid

Carpy,Haasbroek,Ouhabi,Oliver

, p. 191 - 198 (2000)

The synthesis of a tautomeric keto/enol mixture of o-nitrophenylpyruvic acid followed the acid hydrolysis of the azlactone of o-nitrobenzaldehyde was carried out. The structures of the two tautomeric forms were assigned by NMR spectroscopy. X-ray diffraction of a single crystal revealed that the crystalline form corresponds to the keto tautomer. Quantum mechanics calculations in the gas phase confirmed the experimental findings in solution. (C) 2000 Elsevier Science B.V.

A new and efficient method for the synthesis of 3-(2-nitrophenyl)pyruvic acid derivatives and indoles based on the Reissert reaction

Mamedov, Vakhid A.,Mamedova, Vera L.,Syakaev, Victor V.,Khikmatova, Gul'naz Z.,Korshin, Dmitry E.,Kushatov, Temur A.,Latypov, Shamil K.

, p. 3923 - 3925 (2018/10/02)

The formation of 3-(2-nitrophenyl)pyruvic acid and its amide and ester derivatives – key compounds for the Reissert indole synthesis – was achieved under various reaction conditions via the acid catalyzed hydrolysis of 5-(2-nitrobenzyliden)-2,2-dimethyl-1,3-oxazolidin-4-one, which is readily available from 3-(2-nitrophenyl)oxirane-2-carboxamide. A new and highly efficient method for the synthesis of indole-2-carboxylic acid derivatives via the intramolecular reductive cyclization of o-nitrophenylpyruvic acid and its amide and ester derivatives was developed using Na2S2O4 in dioxane/water at reflux.

Deracemisation of aryl substituted α-hydroxy esters using Candida parapsilosis ATCC 7330: Effect of substrate structure and mechanism

Baskar,Pandian,Priya,Chadha, Anju

, p. 12296 - 12306 (2007/10/03)

Candida parapsilosis ATCC 7330 was found to be an efficient biocatalyst for the deracemisation of aryl α-hydroxy esters (65-85% yield and 90-99% ee). A variety of aryl and aryl substituted α-hydroxy esters were synthesized to reflect steric and electronic effects on biocatalytic deracemisation. The mechanism of this biocatalytic deracemisation was found to be stereoinversion.

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