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1H-Pyrrole-3-carboxylic acid, 2-methyl-4-(4-nitrophenyl)-, ethyl ester is a complex organic compound with the chemical formula C14H14N2O4. It is a derivative of pyrrole-3-carboxylic acid, featuring a methyl group at the 2nd position and a 4-nitrophenyl group at the 4th position. The ethyl ester functional group is attached to the carboxylic acid, making it a member of the ester class. 1H-Pyrrole-3-carboxylic acid, 2-methyl-4-(4-nitrophenyl)-, ethyl ester is characterized by its unique molecular structure, which includes a pyrrole ring, a nitrophenyl group, and an ethyl ester moiety. It is synthesized for various applications in the fields of pharmaceuticals, agrochemicals, and materials science, where its specific properties can be exploited for the development of new drugs, pesticides, or other chemical products.

5881-57-2

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5881-57-2 Usage

Molecular Structure

The compound has a pyrrole ring, a carboxylic acid group, a nitrophenyl group, and an ethyl ester group.

Molecular Weight

278.28 g/mol

Appearance

The compound is a pale yellow solid.

Solubility

It is soluble in common organic solvents such as ethanol, methanol, and dichloromethane.

Reactivity

The compound can undergo various chemical reactions due to the presence of the pyrrole ring, carboxylic acid, and nitrophenyl group.

Synthesis

The compound can be synthesized through various methods, including the condensation of the corresponding aldehyde with an amino acid.

Industrial Applications

The compound has potential uses in the synthesis of various organic compounds, pharmaceuticals, drug delivery systems, and as a building block for the production of new drugs.

Research Applications

The compound can be used as a precursor for the synthesis of dyes and pigments, and in the study of chemical reactions involving the pyrrole ring, carboxylic acid, and nitrophenyl group.

Check Digit Verification of cas no

The CAS Registry Mumber 5881-57-2 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,8,8 and 1 respectively; the second part has 2 digits, 5 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 5881-57:
(6*5)+(5*8)+(4*8)+(3*1)+(2*5)+(1*7)=122
122 % 10 = 2
So 5881-57-2 is a valid CAS Registry Number.

5881-57-2Relevant academic research and scientific papers

Virtual screening and further development of novel ALK inhibitors

Okamoto, Masako,Kojima, Hirotatsu,Saito, Nae,Okabe, Takayoshi,Masuda, Yoshiaki,Furuya, Toshio,Nagano, Tetsuo

experimental part, p. 3086 - 3095 (2011/06/26)

Anaplastic lymphoma kinase (ALK) has been in the spotlight in recent years as a promising new target for therapy of non-small-cell lung cancer (NSCLC). Since the identification of the echinoderm microtubule-associated protein-like 4 (EML4)-ALK fusion gene in some NSCLC patients was reported in 2007, various research groups have been seeking ALK inhibitors. Above all, crizotinib (PF-02341066) has been under clinical trial, and its therapeutic efficacy of inhibiting ALK in NSCLC has been reported. Among anticancer drugs, drug resistance appears frequently necessitating various kinds of inhibitors. We identified novel ALK inhibitors by virtual screening from the public chemical library collected by the Chemical Biology Research Initiative (CBRI) at the University of Tokyo, and inhibitors that are more potent were developed.

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