38713-06-3

Basic information

• Product Name: ETHYL CYANOACETATE, [CYANO-14C]
• Synonyms: ETHYL CYANOACETATE, [CYANO-14C]
• CAS NO: 38713-06-3
• Molecular Formula: C₅H₇NO₂
• Molecular Weight: 115.13
• Mol File: 38713-06-3.mol

Chemical Properties

• Appearance: /
• Water Solubility: at 25 deg C (mg/L): 938.6
• CAS DataBase Reference: ETHYL CYANOACETATE, [CYANO-14C](CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL CYANOACETATE, [CYANO-14C](38713-06-3)
• EPA Substance Registry System: ETHYL CYANOACETATE, [CYANO-14C](38713-06-3)

Safety Data

• Hazardous Substances Data: 38713-06-3(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
ETHYL CYANOACETATE, [CYANO-14C] is used as an intermediate in organic synthesis for the production of various pharmaceuticals. Its radioactive labeling allows researchers to study the compound's metabolic pathways and interactions within the body, aiding in the development of new drugs and understanding their effects.
Used in Perfumery Industry:
ETHYL CYANOACETATE, [CYANO-14C] is used as a raw material in the production of perfumes. Its fruity odor contributes to the creation of various fragrances, while its radioactive labeling enables the tracking of the compound's distribution and persistence in the environment, ensuring safety and sustainability in the perfume industry.
Used in Research and Testing:
ETHYL CYANOACETATE, [CYANO-14C] is used as a tracer compound in research and testing applications. Its radioactive isotope carbon-14 allows scientists to monitor the compound's behavior in different systems, such as metabolic studies, environmental fate studies, and other experimental setups. This helps in understanding the compound's properties, potential risks, and applications in various fields.

Upstream product

• 1117-96-0 Diazoethan 
• 58454-80-1 [cyano-¹⁴C]cyanoacetic acid 
• 64-17-5 ethanol 
• 5373-08-0 [14C]potassium cyanide 
• 105-39-5 chloroacetic acid ethyl ester 

Downstream Products

• 55390-83-5 [3-¹⁴C]-cyanoacetamide 

Relevant articles and documents

An efficient large-scale synthesis of 1H-indazole-[3-14C] carboxylic acid

An efficient large-scale carbon-14 synthesis of 1H-indazole-[3- 14C]carboxylic acid starting from [14C]potassium cyanide is reported. Key transformations encountered during the synthesis include aromatic nucleophilic substitution of

Inactivation of monoamine oxidase B by benzyl 1-(aminomethyl)cyclopropane-1-carboxylate

Monoamine oxidase (MAO) is a flavoenzyme that catalyzes the oxidation of various biogenic and xenobiotic amines. Benzyl 1-(aminomethyl)cyclopropane-1-carboxylate (1) was designed as a diactivated cyclopropane mechanism-based inactivator of MAO (Silverman, R.B.; Ding, C.Z.; Borrillo, J.L.; Chang, J.T. J. Am. Chem. Sec. 1993, 115, 2982). [1,1-2H2]-1 exhibits a deuterium isotope effect of 4.5 on inactivation, but in D2O the isotope effect is only 2.3. [1-3H]-1 and [1-14C]-1 were synthesized; upon inactivation of MAO, 1.1 and 2.0 equiv of radioactivity, respectively, are incorporated into the enzyme. Tritium, as 3H2O, is released during inactivation with [1-3H]-1. The flavin absorption spectrum changes from that of oxidized to that of reduced flavin after inactivation; denaturation of the inactivated enzyme shows a reduced flavin spectrum, suggesting the formation of a modified flavin. Tryptic digestion of the enzyme labeled with [1-3H]-1 or [1-14C]-1, followed by HPLC analysis, monitoring at 450 nm (flavin), shows that the radioactivity comigrates with the 450 nm absorptions. The metabolites that are generated during in activation are benzyl 1-formylcyclopropane-1-carboxylate, benzyl alcohol, and 1-formylcyclopropane-1-carboxylic acid; no ring-cleaved products were detected. The partition ratio, as determined from the ratio of nonamines to enzyme, is 110. These results are rationalized in terms of a single-electron transfer mechanism leading to the imine of benzyl 1-formylcyclopropane-1-carboxylate, which alkylates the flavin coenzyme.