Propanoicacid,2-formyl-3-oxo-,ethylester
- Product Name
- Propanoicacid,2-formyl-3-oxo-,ethylester
- CAS No.
- 80370-42-9
- Chemical Name
- Propanoicacid,2-formyl-3-oxo-,ethylester
- Synonyms
- Ethyl-2-forMyl-3-oxopropionate;2-Formyl-3-oxo-propanoic acid ethyl ester;2-Formyl-3-oxo-propionic Acid Ethyl Ester;Ethyl Diformylacetate;Regadenoson Impurity 9;Regadenoson impurity F;EthylDiformylacetate>Regadenoson Impurity N21;2-Formyl-3-oxopropionate;Ethyl-2-forMyl-3-oxopropi...
- CBNumber
- CB42105996
- Molecular Formula
- C6H8O4
- Formula Weight
- 144.13
- MOL File
- 80370-42-9.mol
Propanoicacid,2-formyl-3-oxo-,ethylester Property
- Boiling point:
- 32°C/0.3mmHg(lit.)
- Density
- 1.143±0.06 g/cm3(Predicted)
- refractive index
- 1.4710 to 1.4750
- storage temp.
- Inert atmosphere,Store in freezer, under -20°C
- solubility
- Chloroform, Methanol
- form
- Oil
- pka
- 1.55±0.59(Predicted)
- color
- Clear Colorless to Pale Yellow
- λmax
- 245nm(EtOH)(lit.)
- InChI
- InChI=1S/C6H8O4/c1-2-10-6(9)5(3-7)4-8/h3-5H,2H2,1H3
- InChIKey
- HMFLBGNCDZYITR-UHFFFAOYSA-N
- SMILES
- C(OCC)(=O)C(C=O)C=O
Safety
- HS Code
- 2918300090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H317May cause an allergic skin reaction
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P272Contaminated work clothing should not be allowed out of the workplace.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P321Specific treatment (see … on this label).
P333+P313IF SKIN irritation or rash occurs: Get medical advice/attention.
P363Wash contaminated clothing before reuse.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- E1128
- Product name
- Ethyl Diformylacetate
- Purity
- >97.0%(T)
- Packaging
- 1g
- Price
- $39
- Updated
- 2025/07/31
- Product number
- E1128
- Product name
- Ethyl Diformylacetate
- Purity
- >97.0%(T)
- Packaging
- 5g
- Price
- $158
- Updated
- 2025/07/31
- Product number
- F700895
- Product name
- 2-Formyl-3-oxopropanoicAcidEthylEster
- Packaging
- 25g
- Price
- $450
- Updated
- 2021/12/16
- Product number
- CHM0392327
- Product name
- ETHYL-2-FORMYL-3-OXOPROPANOATE
- Purity
- 95.00%
- Packaging
- 5MG
- Price
- $504.2
- Updated
- 2021/12/16
- Product number
- 2129-1-47
- Product name
- Ethyl diformylacetate
- Packaging
- 25g
- Price
- $300
- Updated
- 2021/12/16
Propanoicacid,2-formyl-3-oxo-,ethylester Chemical Properties,Usage,Production
Chemical Properties
Propanoicacid,2-formyl-3-oxo-,ethylester is light yellow liquid
Uses
2-Formyl-3-oxopropanoic Acid Ethyl Ester is used cyclocondensation reactions for the preparation of heterocyclic compounds such as polyfunctionally substituted pyridines.
Uses
Propanoicacid,2-formyl-3-oxo-,ethylester is used cyclocondensation reactions for the the preparation of heterocyclic compounds such as polyfunctionally substituted pyridines.
Synthesis Reference(s)
The Journal of Organic Chemistry, 47, p. 2216, 1982 DOI: 10.1021/jo00132a055
Synthesis
10601-80-6
109-94-4
80370-42-9
Sodium hydride (2.46 g, 61.5 mmol) was accurately weighed in a dry 100-mL pear-shaped flask. It was washed sequentially with hexane and ether. The washed sodium hydride was suspended in ether (100 mL) and cooled in an ice bath to 0°C. Ethyl formate (24.84 mL, 308 mmol) was added slowly and dropwise, followed by ethyl 3,3-diethoxypropionate (5.98 mL, 30.8 mmol). The reaction mixture was stirred at room temperature for 15 hours to ensure complete reaction. After completion of the reaction, the mixture was slowly poured into ice water and the aqueous phase was washed with ether. The pH of the aqueous phase was adjusted to 1 with dilute hydrochloric acid and subsequently extracted with dichloromethane. The organic phases were combined, washed with saturated aqueous sodium chloride solution, dried over anhydrous magnesium sulfate, filtered, and concentrated under reduced pressure to afford ethyl 2-formyl-3-oxopropanoate (3.29 g, 22.83 mmol, 74.2% yield) as a golden-yellow slurry.
References
[1] Patent: EP1364946, 2003, A1. Location in patent: Page/Page column 196
[2] Patent: US2005/256004, 2005, A1. Location in patent: Page/Page column 31-32
[3] Patent: WO2017/59191, 2017, A1. Location in patent: Paragraph 00441-00443
[4] Journal of Organic Chemistry, 1982, vol. 47, # 11, p. 2216 - 2217
[5] Tetrahedron, 2008, vol. 64, # 33, p. 7745 - 7758
Propanoicacid,2-formyl-3-oxo-,ethylester Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from Propanoicacid,2-formyl-3-oxo-,ethylester manufacturers
- Product
- Propanoicacid,2-formyl-3-oxo-,ethylester 80370-42-9
- Price
- US $15.00-10.00/KG
- Min. Order
- 1KG
- Purity
- 99%+ HPLC
- Supply Ability
- Monthly supply of 1 ton
- Release date
- 2021-06-27
- Product
- Propanoicacid,2-formyl-3-oxo-,ethylester 80370-42-9
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 200KG
- Release date
- 2018-08-06