58607-90-2 Usage
Uses
Used in Chemical Research:
Ethyl 5-oxo-5H-pyrazole-3-carboxylate is used as a reagent in chemical research for its ability to participate in various chemical reactions. Its reactivity, stemming from the presence of an ethyl ester, a pyrazole ring, and a carboxylic acid functional group, makes it a versatile compound for synthesis purposes.
Used in Pharmaceutical Industry:
Ethyl 5-oxo-5H-pyrazole-3-carboxylate is used as an intermediate in the synthesis of pharmaceutical compounds. Its unique structure and reactivity allow for the creation of new drug molecules, potentially leading to the development of novel treatments and therapies.
Used in Material Science:
In the field of material science, Ethyl 5-oxo-5H-pyrazole-3-carboxylate is used as a building block for the development of new materials with specific properties. Its incorporation into the molecular structure of these materials can influence their physical and chemical characteristics, such as stability, reactivity, and solubility.
Used in Agricultural Chemicals:
Ethyl 5-oxo-5H-pyrazole-3-carboxylate is used as a precursor in the synthesis of agricultural chemicals, such as pesticides and herbicides. Its reactivity and structural features enable the creation of compounds that can effectively control pests and weeds, thereby contributing to increased crop yields and protection of agricultural resources.
Check Digit Verification of cas no
The CAS Registry Mumber 58607-90-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,8,6,0 and 7 respectively; the second part has 2 digits, 9 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 58607-90:
(7*5)+(6*8)+(5*6)+(4*0)+(3*7)+(2*9)+(1*0)=152
152 % 10 = 2
So 58607-90-2 is a valid CAS Registry Number.
InChI:InChI=1/C6H8N2O3/c1-2-11-6(10)4-3-5(9)8-7-4/h2-3H2,1H3,(H,8,9)
58607-90-2Relevant academic research and scientific papers
Bimanes. 14. Synthesis and Properties of 4,6-Bis(carboalkoxy)-1,5-diazabicycloocta-3,6-diene-2,8-diones . Preparation of the Parent syn-Bimane, syn-(Hydrogen,hydrogen)bimane.
Kosower, Edward M.,Faust, Dov,Ben-Shoshan, Marcia,Goldberg, Israel
, p. 214 - 221 (2007/10/02)
The 3-(carboalkoxy)pyrazolin-5-ones derived from dialkyl oxaloacetates or diethyl α-methyloxaloacetate through reaction with hydrazine can be converted into the strongly fluorescent 4,6-bis(carboalkoxy)-1,5-diazabicycloocta-3,6-diene-2,8-diones 1)B (6), R=CH3 or CH3CH2, R1=CH3, Cl, Br> by base treatment of the corresponding chloro or bromo derivative.The structure of one bis ester, 4,6-bis(carbomethoxy)-3,7-dimethyl-1,5-diazabicycloocta-3,6-diene-2,8-dione , has beendetermined by X-ray crystallography.Lithium bromide and the esters in CH3CN or DMF yield via dealkylation and decarboxylation the corresponding syn-(H,R1)B (11), (R1=H, CH3, Cl, Br, I) or the "mixed" bimanes syn-(EtOOC,R1)(H,R1)B (10, R1=Cl or CH3).A dicarboxylic acid (R1=CH3; LiBr/CH3CN/60 deg C; two COOCH3's) readily decarboxylates.Hydrogenation of halogenated bimanes over Pd/C(AcOH) replaces one or both halogens, the 2H product from syn-(H,Cl)B being the parent syn-bimane, syn-(H,H)B, syn-(COOR,H)B and ICl yield syn-(COOR,I)B, which gives syn-(H,I)B on dealkylation-decarboxylation.Replacement of Cl in syn-(COOCH2CH3,Cl)B by C6H5S(1-) yields syn-(COOCH2CH3,C6H5S)B.Both ester groups and halogens shift absorption and fluorescence maxima to longer wavelengths than those recorded for syn-(CH3,CH3)B.In 1H NMR spectra, the β-hydrogens of the syn-bimane appear at considerably lower fields (7.52-8.21 ppm) than the α-hydrogens (5.42-6.13 ppm).
