ETHYL 3-OXO CYCLOBUATNE CARBOXYLATE
- Product Name
- ETHYL 3-OXO CYCLOBUATNE CARBOXYLATE
- CAS No.
- 87121-89-9
- Chemical Name
- ETHYL 3-OXO CYCLOBUATNE CARBOXYLATE
- Synonyms
- Ethyl 3-oxetanecarboxylate;Ethyl oxetane-3-carboxylate;Ethyl 3-Oxocyclobutylcarboxylate;Ethyl 3-oxocyclobuantecarboxylate;ethyl 3-oxocyclobutanecarboxylate;ETHYL 3-OXO CYCLOBUATNE CARBOXYLATE;ethyl 3-oxocyclobutane-1-carboxylate;Ethyl 3-oxocyclobutanecarboxylate, 95%;Methyl 3,3,3-trifluoro-2-iminopropanoate;3-Oxo-cyclobutanecarboxylic acid ethyl ester
- CBNumber
- CB02451008
- Molecular Formula
- C7H10O3
- Formula Weight
- 142.15
- MOL File
- 87121-89-9.mol
ETHYL 3-OXO CYCLOBUATNE CARBOXYLATE Property
- Boiling point:
- 90 °C(Press: 2 Torr)
- Density
- 1.169g/ml
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- form
- liquid
- color
- light brown
- InChI
- InChI=1S/C7H10O3/c1-2-10-7(9)5-3-6(8)4-5/h5H,2-4H2,1H3
- InChIKey
- BXBRFSMPBOTZHJ-UHFFFAOYSA-N
- SMILES
- C1(C(OCC)=O)CC(=O)C1
- CAS DataBase Reference
- 87121-89-9
Safety
- HS Code
- 2916200090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P271Use only outdoors or in a well-ventilated area.
N-Bromosuccinimide Price
- Product number
- E925368
- Product name
- Ethyl3-oxocyclobutanecarboxylate
- Packaging
- 100mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- E925368
- Product name
- Ethyl3-oxocyclobutanecarboxylate
- Packaging
- 500mg
- Price
- $65
- Updated
- 2021/12/16
- Product number
- 449135
- Product name
- Ethyl 3-oxocyclobutanecarboxylate
- Packaging
- 100mg
- Price
- $305
- Updated
- 2021/12/16
- Product number
- W8940
- Product name
- Ethyl3-oxocyclobutanecarboxylate
- Packaging
- 10g
- Price
- $94
- Updated
- 2021/12/16
- Product number
- J97640
- Product name
- Ethyl3-oxocyclobutanecarboxylate
- Packaging
- 10g
- Price
- $70
- Updated
- 2021/12/16
ETHYL 3-OXO CYCLOBUATNE CARBOXYLATE Chemical Properties,Usage,Production
Uses
Ethyl 3-oxocyclobutanecarboxylate is used as pharmaceutical intermediate.
Synthesis
17205-02-6
87121-89-9
The general procedure for the synthesis of ethyl 3-oxocyclobutanecarboxylate from ethyl 3-hydroxycyclobutanecarboxylate was as follows: oxalyl chloride (1.79 mL, 21.2 mmol) was slowly added to dichloromethane (100 mL) at -78 °C, followed by dimethyl sulfoxide (2.51 mL, 35.3 mmol). After 30 minutes of reaction, a solution of cis- and trans-3-hydroxycyclobutanecarboxylic acid ethyl ester (2.68 g, 17.6 mmol) in dichloromethane (46 mL) was added dropwise. The reaction mixture was kept stirred at -78 °C for 30 min. After that, triethylamine (9.84 mL, 70.6 mmol) was added. The reaction mixture was slowly warmed up to room temperature over 2 hours. Upon completion of the reaction, the reaction was quenched by the addition of water and the organic and aqueous layers were separated. The organic layer was washed sequentially with 1N HCl, water, saturated sodium bicarbonate solution and brine, dried over anhydrous sodium sulfate, filtered and concentrated. The resulting crude product, ethyl 3-oxocyclobutanecarboxylate (2.36 g, 94% yield), could be used in the subsequent reaction without further purification. The structure of the product was confirmed by 1H NMR (400 MHz, CDCl3): δ 4.21 (q, 2H), 3.45-3.37 (m, 2H), 3.33-3.17 (m, 3H), 1.29 (t, 3H).
References
[1] Patent: US2009/233903, 2009, A1. Location in patent: Page/Page column 43
[2] Chemische Berichte, 1957, vol. 90, p. 1424,1427
[3] Journal of Organic Chemistry, 1968, vol. 33, # 5, p. 1959 - 1962
ETHYL 3-OXO CYCLOBUATNE CARBOXYLATE Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from ETHYL 3-OXO CYCLOBUATNE CARBOXYLATE manufacturers
- Product
- 3-Oxocyclobutanecarboxylic acid ethyl ester 87121-89-9
- Price
- US $0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 2 MTs
- Release date
- 2024-08-06
- Product
- ETHYL 3-OXO CYCLOBUATNE CARBOXYLATE 87121-89-9
- Price
- US $1.00/kg
- Min. Order
- 1kg
- Purity
- 95%-99%
- Supply Ability
- 100kg
- Release date
- 2018-12-24
- Product
- ETHYL 3-OXO CYCLOBUATNE CARBOXYLATE 87121-89-9
- Price
- US $1.00/kg
- Min. Order
- 1kg
- Purity
- 95%-99%
- Supply Ability
- 1000kg
- Release date
- 2018-12-24