26377-17-3

Basic information

• Product Name: ETHYL ISONICOTINOYLACETATE
• Synonyms: 4-PYRIDINEPROPANOICACID,B-OXO-,ETHYLESTER;β-Oxo-4-pyridinepropionic acid ethyl ester;Ethyl isonicotinoylacetate,95%;ethyl 3-oxo-3-pyridin-4-ylpropanoate(SALTDATA: FREE);3-Oxo-3-pyridin-4-yl-propionic acid ethyl ester;2-(3-ethoxy-3-oxopropanoyl)pyridine-4-carboxylic acid;Ethyl isonicotinoylacetate, 95% 2.5GR;Ethyl isonicotinoylacetat...
• CAS NO: 26377-17-3
• Molecular Formula: C₁₀H₁₁NO₃
• Molecular Weight: 193.2
• EINECS: 247-635-1
• Mol File: 26377-17-3.mol
• Article Data: 22

Chemical Properties

• Melting Point: 53-59 °C
• Boiling Point: 169°C/4mmHg(lit.)
• Flash Point: 130.377 °C
• Appearance: Pale brown/Solid
• Density: 1.155
• Vapor Pressure: 0.00189mmHg at 25°C
• Refractive Index: 1.5100
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility: soluble in Methanol
• PKA: 8.61±0.25(Predicted)
• CAS DataBase Reference: ETHYL ISONICOTINOYLACETATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL ISONICOTINOYLACETATE(26377-17-3)
• EPA Substance Registry System: ETHYL ISONICOTINOYLACETATE(26377-17-3)

Safety Data

• Hazard Codes: Xi
• Safety Statements: 24/25
• Hazardous Substances Data: 26377-17-3(Hazardous Substances Data)

Usage

InChI:InChI=1/C10H11NO3/c1-2-14-10(13)7-9(12)8-3-5-11-6-4-8/h3-6H,2,7H2,1H3

Upstream product

• 1570-45-2 isonicotinic acid ethylester 
• 141-78-6 ethyl acetate 
• 6148-64-7 ethyl potassium malonate 
• 90322-87-5 1-isonicotinoyl-1H-imidazole 
• 1122-54-9 methyl (4-pyridyl) ketone 
• 105-58-8 Diethyl carbonate 
• 14254-57-0 4-(chlorocarbonyl)pyridine 
• 55-22-1 pyridine-4-carboxylic acid 
• 117326-21-3 2,2-dimethyl-1,3-dioxolane-4,5-dione 
• 64-17-5 ethanol 
• 530-62-1 1,1'-carbonyldiimidazole 
• 1007476-32-5 sodium ethyl acetylacetate enolate 
• 4013-73-4 isonicotinoyl azide 

Downstream Products

• 56850-98-7 3-(2-chloro-phenyl)-5-pyridin-4-yl-isoxazole-4-carboxylic acid ethyl ester 
• 663620-35-7 C₁₆H₁₅BrN₂O₂ 
• 54950-12-8 2-amino-6-[4]pyridyl-3H-pyrimidin-4-one 
• 620533-95-1 1-(3,5-bis-trifluoromethyl-benzyl)-5-pyridin-4-yl-1H-[1,2,3]triazole-4-carboxylic acid ethyl ester 
• 54950-12-8 2-amino-4-hydroxy-6-(pyridin-4-yl)pyrimidine 
• 66869-71-4 ethyl 3-(pyridin-4-yl)propiolate 
• 479073-66-0 1-(3-nitrophenyl)-3-[2-ethoxycarbonyl-3-oxo-3-(pyridin-4-yl)propyl]-1,8-naphthyridin-2(1H)-one 
• 1378868-77-9 ethyl 6-(N-(4-bromo-3-fluorobenzyl)methylsulfonamido)-5-cyclopropyl-2-(pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxylate 
• 1378868-79-1 6-(N-(4-bromo-3-fluorobenzyl)methylsulfonamido)-5-cyclopropyl-2-(pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxylic acid 
• 1378868-81-5 6-(N-(4-bromo-3-fluorobenzyl)methylsulfonamido)-5-cyclopropyl-N-methyl-2-(pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide 
• 1378868-83-7 5-cyclopropyl-6-(N-(3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)methylsulfonamido)-N-methyl-2-(pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide 
• 1378868-35-9 (4-((N-(5-cyclopropyl-3-(methylcarbamoyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyridin-6-yl)methylsulfonamido)methyl)-2-fluorophenyl)boronic acid 
• 685111-87-9 (-)-(S)-1-(pyridin-4-yl)-1,3-propanediol 
• 89819-57-8 7-hydroxy-2-phenyl-5-(γ-pyridyl)-pyrazolo<1,5-a>pyrimidine 

Relevant articles and documents

Acid azide as an acylating agent. I.

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Development of a Novel Chemoenzymatic Process for (S)-1-(Pyridin-4-yl)-1,3-propanediol

We first developed a novel and efficient chemoenzymatic process to prepare (S)-1-(pyridin-4-yl)-1,3-propanediol, a vital HepDirect prodrug intermediate, from inexpensive and commercially available isonicotinic acid. Through this process, we provide a creative way to obtain the key chiral intermediate, β-hydroxyester, with ketoreductase (KRED) EA. After optimization of the process, we performed the reaction on a 100 g scale with a substrate concentration of up to 150 g/L, a yield of 93%, and an ee value of up to 99.9%. Additionally, we used a simple and effective NaBH4/MgCl2 reduction system to obtain (S)-1-(pyridin-4-yl)-1,3-propanediol with >99.9% ee and an 80% yield. This novel chemoenzymatic process has the potential to be a cost-effective and environmentally friendly process suitable for industrial use.

Preparation method of 4-ethylpyridine

The invention relates to the technical field of organic synthesis, in particular to a preparation method of 4-ethylpyridine. The preparation method of the 4-ethylpyridine comprises the following stepsof: mixing ethyl 4-picolinate with sodium ethoxide, heating to 90 to 110 DEG C, then dropwise adding ethyl acetate, and carrying out claisen condensation reaction, thus obtaining ethyl 3-oxo-3-(4-pyridyl) propionate; mixing the ethyl 3-oxo-3-(4-pyridyl) propionate, dimethyl sulfoxide and water, and carrying out heating treatment, thus obtaining 4-acetylpyridine; cooling after mixing glycol with potassium hydroxide, adding hydrazine hydrate, rising the temperature to 60 to 80 DEG C, then mixing with the 4-acetylpyridine, and carrying out reduction reaction, thus obtaining the 4-ethylpyridine.The 4-ethylpyridine prepared through the preparation method provided by the invention is higher in yield and purity.