2531-81-9

Basic information

• Product Name: ETHYL 2-NITROBUTYRATE
• Synonyms: ETHYL 2-NITROBUTYRATE;Ethyl 2-nitrobuytrate;Butyric acid, 2-nitro-, ethyl ester;Ethyl 2-nitrobutyrate 96%
• CAS NO: 2531-81-9
• Molecular Formula: C₆H₁₁NO₄
• Molecular Weight: 161.16
• Product Categories: C6 to C7;Carbonyl Compounds;Esters
• Mol File: 2531-81-9.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 82-83 °C8 mm Hg(lit.)
• Flash Point: 186 °F
• Appearance: /
• Density: 1.096 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.185mmHg at 25°C
• Refractive Index: n20/D 1.423(lit.)
• PKA: 5.98±0.36(Predicted)
• CAS DataBase Reference: ETHYL 2-NITROBUTYRATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 2-NITROBUTYRATE(2531-81-9)
• EPA Substance Registry System: ETHYL 2-NITROBUTYRATE(2531-81-9)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 2531-81-9(Hazardous Substances Data)

Usage

Description

Ethyl 2-nitrobutyrate, also known as ethyl 2-nitro-4-butyrate, is a 2-nitroethyl ester of butyric acid. It is a synthetic organic compound that has been reported to be synthesized from ethyl α-bromobutyrate.

Uses

Used in Chemical Synthesis:
Ethyl 2-nitrobutyrate is used as an intermediate in the synthesis of various organic compounds. Its reactivity and functional groups make it a versatile building block for the production of pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Flavor and Fragrance Industry:
Ethyl 2-nitrobutyrate is used as a flavoring agent and fragrance ingredient. Its unique aroma profile and stability contribute to the creation of various scents and flavors in the perfumery, cosmetics, and food industries.
Used in Research and Development:
Ethyl 2-nitrobutyrate is utilized in research and development for studying the properties and reactions of nitro compounds and esters. It serves as a model compound for understanding the behavior of similar molecules and developing new synthetic methodologies and applications.

InChI:InChI=1/C6H11NO4/c1-3-5(7(9)10)6(8)11-4-2/h5H,3-4H2,1-2H3

Upstream product

• 7425-47-0 2-iodo-butyric acid ethyl ester 
• 861598-20-1 2-nitroso-butyric acid ethyl ester 
• 40561-27-1 1-cyano-1-methylethylnitrate 
• 18995-13-6 Diethyl ethylsodiomalonate 
• 34916-33-1 ethyl-nitro-malonic acid diethyl ester 
• 141-52-6 sodium ethanolate 
• 133-13-1 ethyl diethyl malonate 
• 533-68-6 2-bromobutyric acid ethyl ester 
• 2308-38-5 tert-butyl butyrate 
• 108-03-2 1-Nitropropane 
• 105-58-8 Diethyl carbonate 
• 105-54-4 butanoic acid ethyl ester 
• 830-67-1 ethyl 1H-benzo[d][1,2,3]triazole-1-carboxylate 
• 75-03-6 ethyl iodide 

Downstream Products

• 5339-83-3 ethyl (2E)-2-(hydroxyimino)butanoate 
• 79918-53-9 ethyl 2-ethyl-2-nitro-5-phenyl-4-pentenoate 
• 61829-56-9 ethyl α-(phenylthio)butyrate 
• 102492-94-4 (E)-2-Ethyl-5-phenyl-pent-4-enoic acid ethyl ester 
• 5339-83-3 ethyl 2-(hydroxyimino)butyrate 
• 1176317-16-0 C₁₈H₂₆N₂O₆ 
• 108565-73-7 ethyl 2-chloro-2-nitrobutanoate 

Relevant articles and documents

Spin trapping experiments with different carbamoyl-substituted EMPO derivatives

The spin trapping behavior of five carbamoyl-substituted EMPO derivatives, 5-aminocarbonyl-5-methyl-pyrroline N-oxide (CAMPO (AMPO)), 5-aminocarbonyl-5-ethyl-pyrroline N-oxide (CAEPO), 5-aminocarbonyl-5-propyl-pyrroline N-oxide (CAPPO), 5-aminocarbonyl-5-n-butyl-pyrroline N-oxide (CABPO), and 5-aminocarbonyl-5-n-pentyl-pyrroline N-oxide (CAPtPO), toward different oxygen- and carbon-centered radicals is described, the stabilities of the superoxide adducts ranging from about 8 to 17 min.

C-Carboxylierung von Nitroalkanen mit 1-Ethoxycarbonyl-benzotriazol

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