34780-29-5

Basic information

• Product Name: 3-OXO-PROPIONIC ACID ETHYL ESTER
• Synonyms: 3-OXO-PROPIONIC ACID ETHYL ESTER;Ethyl 3-oxopropanoate;Propanoic acid, 3-oxo-, ethyl ester;3-Oxo-Propionic Acid Ethyl Ester SodiuM salt;3-OXO-PROPIONICACIDETHYLESTERNasaltforM;3-Oxopropanoic acid ethyl ester
• CAS NO: 34780-29-5
• Molecular Formula: C₅H₈O₃
• Molecular Weight: 116.11522
• Mol File: 34780-29-5.mol
• Article Data: 21

Chemical Properties

• Melting Point: 95 °C
• Boiling Point: 148.777°C at 760 mmHg
• Flash Point: 48.839°C
• Appearance: /
• Density: 1.038g/cm³
• Vapor Pressure: 4.154mmHg at 25°C
• Refractive Index: 1.401
• PKA: 7.07±0.23(Predicted)
• CAS DataBase Reference: 3-OXO-PROPIONIC ACID ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 3-OXO-PROPIONIC ACID ETHYL ESTER(34780-29-5)
• EPA Substance Registry System: 3-OXO-PROPIONIC ACID ETHYL ESTER(34780-29-5)

Safety Data

• Hazardous Substances Data: 34780-29-5(Hazardous Substances Data)

Usage

General Description

3-OXO-PROPIONIC ACID ETHYL ESTER is a chemical compound and an ethyl ester of 3-oxopropionic acid. It is also known as ethyl acetylacetate and has the molecular formula C6H10O3. 3-OXO-PROPIONIC ACID ETHYL ESTER is used in the production of pharmaceuticals, perfumes, and flavoring agents. It is a colorless liquid with a fruity odor and is flammable. 3-OXO-PROPIONIC ACID ETHYL ESTER is also used as a solvent and as an intermediate in organic synthesis. It is important to handle this chemical with caution as it can cause irritation to the skin, eyes, and respiratory system.

InChI:InChI=1/C5H8O3/c1-2-8-5(7)3-4-6/h4H,2-3H2,1H3

Upstream product

• 107-31-3 Methyl formate 
• 141-78-6 ethyl acetate 
• 109-94-4 formic acid ethyl ester 
• 81077-09-0 2-diazo-3-hydroxypropanoic acid ethyl ester 
• 763-69-9 ethyl 3-ethoxypropionate 
• 2033-24-1 cycl-isopropylidene malonate 
• 64-17-5 ethanol 
• 57042-08-7 Diethyl trans-hex-3-enedioate 
• 201230-82-2 carbon monoxide 
• 623-47-2 propynoic acid ethyl ester 
• 105-56-6 ethyl 2-cyanoacetate 
• 141-52-6 sodium ethanolate 
• 78108-74-4 (E)-3-(1,1,3,3-Tetramethyl-1,3-dihydro-benzo[1,2,5]azadisilol-2-yl)-acrylic acid ethyl ester 
• 10601-80-6 ethyl 3,3-diethoxypropanoate 

Downstream Products

• 7424-91-1 methyl 3,3-dimethoxypropionate 
• 924-99-2 ethyl 3-(dimethylamino)acrylate 
• 70800-62-3 N-acetyl-sulfanilic acid-(6-oxo-1,6-dihydro-pyrimidin-2-ylamide) 
• 19875-04-8 2-methyl-3H-pyrimidin-4-one 
• 56305-66-9 sulfanilic acid-(6-oxo-1,6-dihydro-pyrimidin-2-ylamide) 
• 132839-91-9 (+/-)-ethyl 3-cyano-3-hydroxypropionate 
• 77493-83-5 3-(m-tolyl)pyrazolo<1,5-a>pyrimidin-6-one 
• 623-73-4 diazoacetic acid ethyl ester 
• 14762-48-2 ethyl 2-diazo-3-oxo-propanoate 
• 15179-92-7 3-Anilinoacrylsaeure-ethylester 
• 4105-92-4 triethyl benzene-1,3,5-tricarboxylate 
• 398148-07-7 3-[N'-(3,5-bis-trifluoromethyl-benzoyl)-N'-methyl-N-naphthalen-2-ylmethyl-hydrazino]-propionic acid ethyl ester 
• 398148-06-6 3-[N'-(3,5-bis-trifluoromethyl-benzoyl)-N-(3,4-dichloro-benzyl)-N'-methyl-hydrazino]-propionic acid ethyl ester 
• 398148-05-5 3-[N'-(3,5-bis-trifluoromethyl-benzoyl)-N-(4,5-dibromo-thiophen-2-ylmethyl)-N'-methyl-hydrazino]-propionic acid ethyl ester 

Relevant articles and documents

An improved and large scale synthesis of the natural coumarin scopoletin

Isovanillin was oxidized with magnesium monoperoxyphthalate to 4-methoxyresorcinol (2) and the latter was reacted with 3-oxo-propionic acid ethylester prepared in situ to give scopoletin (1). These reactions can be achieved in kg scale in high yields.

α-Amino Acid-Isosteric α-Amino Tetrazoles

The synthesis of all 20 common natural proteinogenic and 4 otherα-amino acid-isosteric α-amino tetrazoles has been accomplished, whereby the carboxyl group is replaced by the isosteric 5-tetrazolyl group. The short process involves the use of the key Ugi tetrazole reaction followed by deprotection chemistries. The tetrazole group is bioisosteric to the carboxylic acid and is widely used in medicinal chemistry and drug design. Surprisingly, several of the common α-amino acid-isosteric α-amino tetrazoles are unknown up to now. Therefore a rapid synthetic access to this compound class and non-natural derivatives is of high interest to advance the field.

Preparation method of 3-N,N-dimethylamino ethyl acrylate

The present invention provides a preparation method of 3-N,N-dimethylamino ethyl acrylate. According to the method, a 3-N,N-dimethylamino ethyl acrylate crude product and a polymerization inhibitor are mixed and subjected to reduced pressure distillation, and 3-N,N-dimethylamino ethyl acrylate is obtained; the polymerization inhibitor in use is composed two or more of 2,6-binitro p-cresol, o-sec-4,6-dinitrophenol, 2, 4-dimethyl-6-tertiary butyl phenol, 2,6-binitro-p-cresol, 2,2,6,6-tetramethylpiperidine nitric oxide, 2,2,6,6-tetramethyl-4-piperidone, N-methyl-2-pyrrolidone, dimethyl-thioltoluenediamine and an organic sulfonic acid compound. The specific polymerization inhibitor and the 3-N,N-dimethylamino ethyl acrylate crude product are selected and mixed to be subjected to reduced pressure distillation, the purity of 3-N,N-dimethylamino ethyl acrylate obtained through distillation is high, and the yield is also high.